 
   Models ordered according to FD
TiSi6O15       PCOD3201354 R =  0.0177        4274.32     6.55  2D
TiSiO5         PCOD3201158 R =  0.0113         573.85     6.97  2D
TiSi6O15       PCOD3203784 R =  0.0190        1985.82     7.05  2D
TiSi10O23      PCOD3203678 R =  0.0159        1543.25     7.13  2D
TiSi4O11       PCOD3201785 R =  0.0194        2796.06     7.15  2D excluded, some too long Si-O distances
Ti2Si5O16      PCOD3201487 R =  0.0195        1763.08     7.94  2D
TiSi6O15       PCOD3201485 R =  0.0097        1717.38     8.15  2D
TiSi4O11       PCOD3201642 R =  0.0198        2436.71     8.21  2D
TiSi6O15       PCOD3201303 R =  0.0200        6501.03     8.61     3D
TiSi18O39      PCOD3203699 R =  0.0176        2136.17     8.89  2D
Ti2Si3O12      PCOD3201615 R =  0.0174        2204.96     9.07  2D
TiSi18O39      PCOD3201268 R =  0.0149        7816.61     9.72     3D
Ti4Si9O30      PCOD3201114 R =  0.0138        1310.10     9.92  2D
TiSi4O11       PCOD3202664 R =  0.0173        2003.72     9.98  2D
TiSi12O27      PCOD3202824 R =  0.0158        2565.11    10.14  2D
TiSi6O15       PCOD3202102 R =  0.0184        2641.44    10.60     3D
TiSi4O11       PCOD3201586 R =  0.0188         940.99    10.63  2D
TiSi10O23      PCOD3201744 R =  0.0179        2045.08    10.76  2D
TiSi2O7        PCOD3201398 R =  0.0187        1082.25    11.09  2D
TiSi8O19       PCOD3201747 R =  0.0195        1604.13    11.22  2D
TiSiO5         PCOD3201478 R =  0.0200        1422.73    11.25  2D
TiSi6O15       PCOD3202563 R =  0.0169        1212.44    11.55  2D
TiSi14O31      PCOD3203589 R =  0.0152        1256.15    11.94  2D
TiSi18O39      PCOD3201266 R =  0.0185        6330.11    12.01     3D
TiSi2O7        PCOD3202673 R =  0.0131         996.33    12.04     3D
Ti2Si3O12      PCOD3202782 R =  0.0172        1654.65    12.09     3D
TiSiO5         PCOD3202448 R =  0.0155         653.27    12.25  2D
Ti4Si9O30      PCOD3203734 R =  0.0160        4213.50    12.34     3D
TiSi10O23      PCOD3201869 R =  0.0131        7060.95    12.46  2D
TiSi4O11       PCOD3203507 R =  0.0142         793.99    12.59  2D
TiSi3O9        PCOD3202437 R =  0.0170         631.70    12.66  2D
TiSi6O15       PCOD3202101 R =  0.0184        2155.27    12.99     3D
TiSi4O11       PCOD3202128 R =  0.0131         762.52    13.11  2D
TiSi4O11       PCOD3202072 R =  0.0175        1523.04    13.13     3D
TiSi2O7        PCOD3203627 R =  0.0133         913.62    13.13  2D
TiSi6O15       PCOD3201019 R =  0.0127        4261.79    13.14     3D
TiSi9O21       PCOD3203675 R =  0.0186        1505.07    13.29  2D
Ti3Si2O13      PCOD3202077 R =  0.0095         751.22    13.31     3D
TiSi4O11       PCOD3201245 R =  0.0126        2245.91    13.36     3D
TiSi4O11       PCOD3202658 R =  0.0175        1497.09    13.36     3D
TiSi4O11       PCOD3201272 R =  0.0128        2226.84    13.47     3D similar to 3201245
TiSi18O39      PCOD3203103 R =  0.0174        1409.51    13.48  2D
TiSi2O7        PCOD3201055 R =  0.0178        2199.36    13.64     3D
TiSiO5         PCOD3202444 R =  0.0129         585.18    13.67  2D
TiSi12O27      PCOD3201087 R =  0.0188        1897.30    13.70     3D
TiSi7O17       PCOD3201023 R =  0.0129        4660.52    13.73     3D
TiSi3O9        PCOD3201364 R =  0.0081         581.27    13.76  2D
TiSi12O27      PCOD3203771 R =  0.0120        1883.32    13.81     3D
TiSi3O9        PCOD3203799 R =  0.0081        4613.16    13.87  2D
TiSi5O13       PCOD3201369 R =  0.0185         863.37    13.90
TiSi10O23      PCOD3201340 R =  0.0185        1582.42    13.90
TiSi6O15       PCOD3201362 R =  0.0096        2009.65    13.93
TiSi12O27      PCOD3203574 R =  0.0142        1861.49    13.97
TiSi3O9        PCOD3203597 R =  0.0140        2286.28    14.00
TiSi24O51      PCOD3203708 R =  0.0178        3520.07    14.20
TiSi8O19       PCOD3203275 R =  0.0152        1266.94    14.21
TiSi2O7        PCOD3201693 R =  0.0140         843.69    14.22
TiSi3O9        PCOD3203624 R =  0.0092        4499.32    14.22
TiSi6O15       PCOD3201649 R =  0.0160        1948.46    14.37
Ti4Si5O22      PCOD3202059 R =  0.0190         626.06    14.38
TiSi6O15       PCOD3202051 R =  0.0093         486.37    14.39
Ti2Si7O20      PCOD3203692 R =  0.0135        2486.82    14.48
TiSi6O15       PCOD3202662 R =  0.0115        1929.80    14.51
TiSi9O21       PCOD3201193 R =  0.0149        1373.86    14.56
Ti3SiO11       PCOD3203098 R =  0.0085         549.39    14.56
TiSi6O15       PCOD3202057 R =  0.0094         956.39    14.64
TiSi12O27      PCOD3203361 R =  0.0185        1775.76    14.64
TiSi18O39      PCOD3201194 R =  0.0174        2594.76    14.64
TiSi2O7        PCOD3201638 R =  0.0193        1634.16    14.69
TiSi10O23      PCOD3201001 R =  0.0187        2966.33    14.83
Ti2Si9O24      PCOD3201128 R =  0.0173        2957.23    14.88
TiSi10O23      PCOD3201798 R =  0.0146        1473.82    14.93
TiSi12O27      PCOD3203772 R =  0.0200        1741.18    14.93
TiSiO5         PCOD3202806 R =  0.0090        2120.60    15.09
TiSi4O11       PCOD3201305 R =  0.0111        3944.00    15.21
TiSi12O27      PCOD3202085 R =  0.0109        1706.39    15.24
TiSi6O15       PCOD3202632 R =  0.0112        1835.14    15.26
TiSi4O11       PCOD3202221 R =  0.0145         653.43    15.30
TiSi18O39      PCOD3203702 R =  0.0164        2481.68    15.31
Ti3Si8O25      PCOD3201896 R =  0.0197        2869.10    15.34
TiSi5O13       PCOD3201829 R =  0.0172        1558.10    15.40
TiSi9O21       PCOD3203695 R =  0.0095        1290.02    15.50
TiSi4O11       PCOD3201101 R =  0.0146        1289.72    15.51
TiSi18O39      PCOD3201247 R =  0.0187        2449.43    15.51
TiSi18O39      PCOD3201242 R =  0.0195        2447.97    15.52
TiSi4O11       PCOD3202100 R =  0.0150        1929.36    15.55
TiSi12O27      PCOD3201189 R =  0.0147        1671.12    15.56
TiSi8O19       PCOD3202284 R =  0.0137        1146.27    15.70
TiSi5O13       PCOD3202623 R =  0.0098        1524.41    15.74
TiSi3O9        PCOD3202176 R =  0.0112         508.05    15.75
TiSi4O11       PCOD3202900 R =  0.0113        2536.27    15.77
TiSi12O27      PCOD3202961 R =  0.0195        1643.29    15.82
TiSi4O11       PCOD3201020 R =  0.0102        2526.71    15.83
TiSi12O27      PCOD3203781 R =  0.0101        1637.52    15.88
TiSi6O15       PCOD3202271 R =  0.0151         880.93    15.89
TiSi4O11       PCOD3202660 R =  0.0178        1258.23    15.90
TiSi12O27      PCOD3202946 R =  0.0197         816.04    15.93
Ti5Si2O19      PCOD3203582 R =  0.0198         877.94    15.95
TiSi8O19       PCOD3201255 R =  0.0189        1128.33    15.95
TiSi12O27      PCOD3203788 R =  0.0196        6516.81    15.96
TiSi10O23      PCOD3202220 R =  0.0173         689.16    15.96
TiSi6O15       PCOD3202017 R =  0.0087         876.46    15.97
Ti3Si5O19      PCOD3202081 R =  0.0144         500.57    15.98
TiSi5O13       PCOD3203000 R =  0.0144        1500.48    15.99
TiSi4O11       PCOD3202922 R =  0.0120        1249.93    16.00
TiSi9O21       PCOD3203736 R =  0.0161        1248.99    16.01
TiSi2O7        PCOD3203571 R =  0.0115        1122.43    16.04
TiSiO5         PCOD3202755 R =  0.0120        1495.08    16.05
TiSi2O7        PCOD3201928 R =  0.0058         744.76    16.11
TiSi2O7        PCOD3201930 R =  0.0061         744.64    16.12
TiSi4O11       PCOD3201267 R =  0.0149        1860.96    16.12
TiSi15O33      PCOD3203097 R =  0.0194        1984.80    16.12
TiSi5O13       PCOD3202422 R =  0.0129        1487.89    16.13
TiSi4O11       PCOD3203664 R =  0.0108        2478.28    16.14
Ti3Si4O17      PCOD3202765 R =  0.0158        1729.80    16.19
TiSi20O43      PCOD3201041 R =  0.0144        2594.14    16.19
TiSi5O13       PCOD3201596 R =  0.0137        1481.63    16.20
TiSi6O15       PCOD3201888 R =  0.0182        1727.74    16.21
Ti4Si3O18      PCOD3201235 R =  0.0164         862.97    16.22
TiSi7O17       PCOD3201637 R =  0.0081        1966.75    16.27
TiSi4O11       PCOD3203534 R =  0.0095        1842.95    16.28
TiSi4O11       PCOD3201996 R =  0.0067        1228.37    16.28
TiSi4O11       PCOD3201302 R =  0.0131        3685.04    16.28
TiSi4O11       PCOD3201613 R =  0.0157        1228.13    16.28
Ti4Si5O22      PCOD3202933 R =  0.0155         552.46    16.29
TiSi8O19       PCOD3203248 R =  0.0088        1104.70    16.29
TiSiO5         PCOD3202834 R =  0.0101        1471.58    16.31
TiSi6O15       PCOD3203224 R =  0.0086         857.85    16.32
Ti2Si11O28     PCOD3202222 R =  0.0185         795.60    16.34
TiSi4O11       PCOD3201722 R =  0.0094        1221.44    16.37
TiSi8O19       PCOD3202608 R =  0.0106        1096.78    16.41
TiSi12O27      PCOD3203227 R =  0.0160        1583.61    16.42
TiSiO5         PCOD3203655 R =  0.0087         974.32    16.42
TiSi4O11       PCOD3201579 R =  0.0102        1214.21    16.47
TiSiO5         PCOD3201359 R =  0.0070        1941.75    16.48
Ti4Si5O22      PCOD3201047 R =  0.0089        1092.17    16.48
TiSi4O11       PCOD3203677 R =  0.0136        1817.56    16.51
TiSi2O7        PCOD3201479 R =  0.0144        1453.91    16.51
TiSi4O11       PCOD3202244 R =  0.0158         604.96    16.53
TiSiO5         PCOD3201786 R =  0.0116         966.90    16.55
Ti3Si8O25      PCOD3202018 R =  0.0070         663.38    16.58
TiSi8O19       PCOD3202915 R =  0.0159        1085.18    16.59
TiSiO5         PCOD3203458 R =  0.0121        1927.14    16.60
TiSi8O19       PCOD3201631 R =  0.0175        2164.81    16.63
TiSi6O15       PCOD3201014 R =  0.0088        1683.63    16.63
Ti3Si8O25      PCOD3201446 R =  0.0095        2644.34    16.64
Ti4Si3O18      PCOD3202687 R =  0.0169         841.09    16.65
TiSi8O19       PCOD3201099 R =  0.0143        2160.38    16.66
TiSi18O39      PCOD3202829 R =  0.0151        1140.12    16.66
Ti2Si3O12      PCOD3202520 R =  0.0110        1199.44    16.67
TiSiO5         PCOD3201621 R =  0.0065         959.13    16.68
Ti2Si5O16      PCOD3201845 R =  0.0165        1678.11    16.69
TiSi5O13       PCOD3201270 R =  0.0194        2156.43    16.69
TiSi4O11       PCOD3203254 R =  0.0162        1197.85    16.70
TiSi4O11       PCOD3201657 R =  0.0167        4786.27    16.71
Ti7Si4O29      PCOD3201249 R =  0.0068        1315.91    16.72
TiSi6O15       PCOD3201091 R =  0.0138        6696.20    16.73
TiSi12O27      PCOD3203170 R =  0.0195         776.12    16.75
TiSi12O27      PCOD3201191 R =  0.0158        3103.28    16.76
TiSi4O11       PCOD3203186 R =  0.0161        1193.24    16.76
TiSiO5         PCOD3202661 R =  0.0156         952.31    16.80
Ti8Si3O30      PCOD3203647 R =  0.0167         654.26    16.81
TiSi5O13       PCOD3203241 R =  0.0128        1427.32    16.81
TiSi3O9        PCOD3202582 R =  0.0107         951.49    16.82
Ti4Si5O22      PCOD3201115 R =  0.0096        1069.44    16.83
TiSi8O19       PCOD3201925 R =  0.0055         534.66    16.83
TiSi4O11       PCOD3201344 R =  0.0147        1188.05    16.83
Ti3Si4O17      PCOD3202618 R =  0.0198         831.17    16.84
Ti7Si6O33      PCOD3203735 R =  0.0120        1543.28    16.85
Ti2SiO8        PCOD3203618 R =  0.0126        1600.46    16.87
TiSi4O11       PCOD3201591 R =  0.0147        1185.07    16.88
TiSi3O9        PCOD3203249 R =  0.0135         947.84    16.88
Ti3Si4O17      PCOD3203196 R =  0.0181        1657.85    16.89
Ti2Si13O32     PCOD3201125 R =  0.0192        1776.03    16.89
Ti4Si3O18      PCOD3203329 R =  0.0174         826.58    16.94
TiSi3O9        PCOD3202025 R =  0.0077        1889.20    16.94
Ti3SiO11       PCOD3203486 R =  0.0083        3776.08    16.95
TiSi7O17       PCOD3203750 R =  0.0150        1887.47    16.95
TiSi3O9        PCOD3201990 R =  0.0083         235.91    16.96
TiSi3O9        PCOD3202009 R =  0.0087         943.57    16.96
TiSi5O13       PCOD3202749 R =  0.0180        2829.38    16.96
TiSi8O19       PCOD3201929 R =  0.0045         530.28    16.97
TiSi3O9        PCOD3201997 R =  0.0084         471.28    16.98
TiSi3O9        PCOD3202058 R =  0.0088         942.56    16.98
TiSi4O11       PCOD3201633 R =  0.0143        2355.33    16.98
TiSi4O11       PCOD3201163 R =  0.0144         882.99    16.99
TiSi3O9        PCOD3202010 R =  0.0085         470.32    17.01
TiSi6O15       PCOD3201080 R =  0.0181        3703.28    17.01
Ti2SiO8        PCOD3201360 R =  0.0139        1409.61    17.03
Ti5Si4O23      PCOD3201460 R =  0.0119        2113.35    17.03
TiSi8O19       PCOD3201070 R =  0.0136        2112.47    17.04
TiSi3O9        PCOD3202241 R =  0.0105         469.19    17.05
TiSi3O9        PCOD3202463 R =  0.0115         938.23    17.05
TiSiO5         PCOD3201852 R =  0.0097        1876.25    17.06
TiSi4O11       PCOD3203614 R =  0.0197        4683.33    17.08
TiSi3O9        PCOD3202212 R =  0.0130         936.56    17.08
Ti4Si5O22      PCOD3203504 R =  0.0133        1052.59    17.10
Ti4Si5O22      PCOD3201661 R =  0.0197        1052.00    17.11
TiSi2O7        PCOD3201452 R =  0.0107        1402.24    17.12
TiSi8O19       PCOD3201675 R =  0.0141        2103.35    17.12
TiSi11O25      PCOD3202098 R =  0.0197        1401.22    17.13
TiSi12O27      PCOD3203575 R =  0.0194        6071.22    17.13
Ti4SiO14       PCOD3203713 R =  0.0197        2332.75    17.15
TiSi3O9        PCOD3201972 R =  0.0074         699.30    17.16
Ti3Si2O13      PCOD3202097 R =  0.0178         873.80    17.17
TiSi9O21       PCOD3203770 R =  0.0162        1164.85    17.17
Ti3Si5O19      PCOD3201129 R =  0.0184        3722.24    17.19
TiSi4O11       PCOD3203626 R =  0.0188        1162.91    17.20
TiSi3O9        PCOD3202531 R =  0.0176         930.13    17.20
TiSi5O13       PCOD3201895 R =  0.0173        1395.01    17.20
TiSi3O9        PCOD3202023 R =  0.0086         464.93    17.21
TiSi9O21       PCOD3202096 R =  0.0162        1161.43    17.22
TiSi9O21       PCOD3202713 R =  0.0063        1161.03    17.23
Ti2SiO8        PCOD3201017 R =  0.0090        1392.06    17.24
TiSi5O13       PCOD3203301 R =  0.0197        1391.82    17.24
TiSi4O11       PCOD3203080 R =  0.0101        1159.83    17.24
Ti8Si17O58     PCOD3203508 R =  0.0184        2896.29    17.26
TiSi4O11       PCOD3202361 R =  0.0169         579.23    17.26
TiSi7O17       PCOD3201893 R =  0.0161        1853.16    17.27
TiSi15O33      PCOD3203731 R =  0.0140         925.90    17.28
Ti2Si3O12      PCOD3202958 R =  0.0189        1156.85    17.29
TiSi2O7        PCOD3201093 R =  0.0179        1387.15    17.30
Ti3Si26O61     PCOD3201037 R =  0.0192        1675.63    17.31
TiSi3O9        PCOD3202514 R =  0.0187         923.92    17.32
TiSi18O39      PCOD3201186 R =  0.0145        2193.01    17.33
TiSi6O15       PCOD3203297 R =  0.0199         807.54    17.34
TiSi5O13       PCOD3201412 R =  0.0199        1384.11    17.34
TiSi12O27      PCOD3203676 R =  0.0182        1499.28    17.34
Ti4Si9O30      PCOD3203590 R =  0.0152         749.58    17.34
Ti2Si9O24      PCOD3201094 R =  0.0097        2536.48    17.35
TiSi10O23      PCOD3202738 R =  0.0173        1267.73    17.35
TiSi4O11       PCOD3202424 R =  0.0145        1151.44    17.37
TiSiO5         PCOD3202513 R =  0.0115         460.14    17.39
TiSiO5         PCOD3201678 R =  0.0142        1379.90    17.39
TiSiO5         PCOD3201618 R =  0.0142        1379.55    17.40
TiSi5O13       PCOD3202740 R =  0.0146        1376.88    17.43
Ti5Si4O23      PCOD3203359 R =  0.0183        2064.43    17.44
TiSi5O13       PCOD3203413 R =  0.0110        1375.37    17.45
Ti3SiO11       PCOD3201550 R =  0.0177         916.78    17.45
Ti2SiO8        PCOD3201837 R =  0.0063        1375.03    17.45
Ti12SiO38      PCOD3202678 R =  0.0096         743.78    17.48
TiSi6O15       PCOD3201150 R =  0.0142        1601.42    17.48
TiSi8O19       PCOD3201670 R =  0.0191        2058.56    17.49
TiSi9O21       PCOD3203022 R =  0.0119        1143.41    17.49
Ti2SiO8        PCOD3202462 R =  0.0122         685.95    17.49
TiSi6O15       PCOD3203730 R =  0.0070        1600.44    17.50
TiSi12O27      PCOD3203099 R =  0.0121        1484.78    17.51
Ti3Si4O17      PCOD3203173 R =  0.0107        1598.38    17.52
TiSi8O19       PCOD3201312 R =  0.0198        2054.90    17.52
Ti2SiO8        PCOD3201934 R =  0.0058         342.40    17.52
TiSi3O9        PCOD3203756 R =  0.0050         912.96    17.53
Ti7Si8O37      PCOD3201170 R =  0.0151        1711.69    17.53
Ti2Si3O12      PCOD3203272 R =  0.0103        1140.85    17.53
TiSi8O19       PCOD3203454 R =  0.0133        2052.76    17.54
TiSi3O9        PCOD3202510 R =  0.0183         912.08    17.54
TiSi8O19       PCOD3201045 R =  0.0116        2050.86    17.55
TiSi2O7        PCOD3203368 R =  0.0161        1367.11    17.56
Ti3SiO11       PCOD3201367 R =  0.0182         910.83    17.57
Ti4SiO14       PCOD3201246 R =  0.0068        1138.45    17.57
TiSi7O17       PCOD3201397 R =  0.0176        1821.39    17.57
TiSiO5         PCOD3202037 R =  0.0092         910.62    17.57
TiSi8O19       PCOD3203783 R =  0.0182        1023.47    17.59
Ti2Si3O12      PCOD3202676 R =  0.0134         568.49    17.59
TiSi8O19       PCOD3202751 R =  0.0182         510.86    17.62
TiSi8O19       PCOD3201169 R =  0.0182        1021.11    17.63
Ti2Si3O12      PCOD3203092 R =  0.0106        1133.93    17.64
TiSi3O9        PCOD3202532 R =  0.0189         907.04    17.64
TiSi3O9        PCOD3203601 R =  0.0088         906.79    17.64
TiSi4O11       PCOD3202672 R =  0.0135        1133.02    17.65
TiSi12O27      PCOD3203010 R =  0.0075        2206.25    17.68
TiSi3O9        PCOD3202164 R =  0.0177         904.06    17.70
TiSi4O11       PCOD3202612 R =  0.0162        1129.56    17.71
TiSi3O9        PCOD3201650 R =  0.0176        1807.23    17.71
TiSi5O13       PCOD3202380 R =  0.0177         677.48    17.71
TiSi4O11       PCOD3202733 R =  0.0119        1128.99    17.71
Ti2SiO8        PCOD3202601 R =  0.0122         677.35    17.72
TiSiO5         PCOD3201274 R =  0.0090        1353.71    17.73
TiSi2O7        PCOD3203145 R =  0.0156        2703.08    17.76
TiSi4O11       PCOD3202526 R =  0.0131        1126.14    17.76
TiSi3O9        PCOD3202004 R =  0.0087         900.02    17.78
TiSi4O11       PCOD3202848 R =  0.0122         562.42    17.78
Ti4Si17O46     PCOD3202065 R =  0.0121        1180.95    17.78
TiSi8O19       PCOD3203247 R =  0.0190        1011.76    17.79
Ti2Si9O24      PCOD3201205 R =  0.0106         618.20    17.79
TiSi6O15       PCOD3202640 R =  0.0137        1573.21    17.80
Ti3Si2O13      PCOD3202525 R =  0.0167         561.61    17.81
TiSi3O9        PCOD3202007 R =  0.0084         449.28    17.81
TiSi6O15       PCOD3202154 R =  0.0190         392.99    17.81
TiSi3O9        PCOD3201953 R =  0.0065         448.83    17.82
TiSi3O9        PCOD3202611 R =  0.0089         897.16    17.83
TiSi4O11       PCOD3201088 R =  0.0073        1682.12    17.83
Ti2Si3O12      PCOD3201078 R =  0.0102        1121.27    17.84
TiSiO5         PCOD3203250 R =  0.0137         896.70    17.84
TiSi3O9        PCOD3202556 R =  0.0122         895.97    17.86
TiSi2O7        PCOD3203096 R =  0.0143        1511.50    17.86
TiSiO5         PCOD3203666 R =  0.0130         895.43    17.87
TiSi3O9        PCOD3202474 R =  0.0160         895.41    17.87
TiSi3O9        PCOD3201968 R =  0.0067         895.30    17.87
TiSi6O15       PCOD3202626 R =  0.0149        1566.31    17.88
TiSi4O11       PCOD3203009 R =  0.0118        2237.26    17.88
Ti5Si2O19      PCOD3201592 R =  0.0198        1565.78    17.88
TiSi5O13       PCOD3202115 R =  0.0137         335.47    17.89
Ti3Si8O25      PCOD3203553 R =  0.0126        2459.82    17.89
TiSi9O21       PCOD3203104 R =  0.0156        1118.08    17.89
TiSi2O7        PCOD3201022 R =  0.0124        2682.49    17.89
TiSi3O9        PCOD3202188 R =  0.0138         893.89    17.90
Ti4Si17O46     PCOD3203483 R =  0.0094        9383.57    17.90
TiSi8O19       PCOD3201203 R =  0.0189        2010.13    17.91
Ti3Si4O17      PCOD3201380 R =  0.0123        1562.86    17.92
Ti7Si24O69     PCOD3203177 R =  0.0160        1726.58    17.95
TiSi3O9        PCOD3202035 R =  0.0092         890.88    17.96
TiSi4O11       PCOD3201243 R =  0.0176        1670.14    17.96
TiSi3O9        PCOD3202011 R =  0.0085         445.14    17.97
TiSi3O9        PCOD3201932 R =  0.0059         890.13    17.97
TiSi3O9        PCOD3202654 R =  0.0096        1780.17    17.98
TiSi4O11       PCOD3202433 R =  0.0125        1112.56    17.98
Ti5Si2O19      PCOD3201538 R =  0.0074         778.44    17.98
TiSi3O9        PCOD3201643 R =  0.0140        1778.86    17.99
TiSi3O9        PCOD3202369 R =  0.0169         444.70    17.99
TiSiO5         PCOD3201514 R =  0.0133         889.13    18.00
TiSi3O9        PCOD3202116 R =  0.0168         222.25    18.00
TiSi3O9        PCOD3201902 R =  0.0039         888.68    18.00
TiSi3O9        PCOD3201924 R =  0.0053         888.53    18.01
TiSi8O19       PCOD3203107 R =  0.0193        1999.10    18.01
TiSi8O19       PCOD3203008 R =  0.0117        1997.68    18.02
TiSi12O27      PCOD3203726 R =  0.0195        1441.60    18.04
TiSi3O9        PCOD3201901 R =  0.0037         443.21    18.05
TiSi6O15       PCOD3201743 R =  0.0079         775.21    18.06
TiSi15O33      PCOD3202956 R =  0.0145        1771.30    18.07
TiSi8O19       PCOD3201641 R =  0.0126        1992.48    18.07
TiSi4O11       PCOD3203347 R =  0.0092        1106.88    18.07
TiSi3O9        PCOD3202202 R =  0.0135         884.99    18.08
TiSi6O15       PCOD3203403 R =  0.0148        1548.45    18.08
TiSi6O15       PCOD3202537 R =  0.0125         774.03    18.09
TiSi4O11       PCOD3201007 R =  0.0156        4973.88    18.09
TiSi3O9        PCOD3201947 R =  0.0065         884.17    18.10
Ti3Si2O13      PCOD3203135 R =  0.0153        1103.43    18.13
TiSi4O11       PCOD3202908 R =  0.0091        1103.22    18.13
TiSi4O11       PCOD3202355 R =  0.0105        1103.14    18.13
Ti3Si4O17      PCOD3202886 R =  0.0051         771.87    18.14
Ti2Si9O24      PCOD3203265 R =  0.0085        1819.00    18.14
TiSi6O15       PCOD3202763 R =  0.0120        3086.55    18.14
TiSiO5         PCOD3203300 R =  0.0149         440.84    18.15
TiSi4O11       PCOD3202228 R =  0.0110         550.95    18.15
Ti4Si9O30      PCOD3202828 R =  0.0165        1432.05    18.16
TiSi6O15       PCOD3202091 R =  0.0123         770.43    18.17
TiSi2O7        PCOD3202805 R =  0.0127        1320.36    18.18
TiSi6O15       PCOD3202649 R =  0.0135        1540.33    18.18
TiSi3O9        PCOD3202364 R =  0.0168         439.83    18.19
TiSi12O27      PCOD3201196 R =  0.0117        5716.15    18.19
TiSi10O23      PCOD3203473 R =  0.0138        4833.21    18.21
TiSi2O7        PCOD3201433 R =  0.0124        1317.81    18.21
TiSi6O15       PCOD3203521 R =  0.0086        1152.83    18.22
TiSi6O15       PCOD3201965 R =  0.0060         384.07    18.23
TiSi6O15       PCOD3201812 R =  0.0077        1535.78    18.23
TiSi6O15       PCOD3201085 R =  0.0199         766.94    18.25
TiSi3O9        PCOD3202233 R =  0.0131         876.36    18.26
Ti2Si3O12      PCOD3203263 R =  0.0073         821.57    18.26
TiSi6O15       PCOD3203499 R =  0.0152         383.36    18.26
TiSi16O35      PCOD3202831 R =  0.0182         930.59    18.27
TiSi3O9        PCOD3201942 R =  0.0059         437.81    18.27
TiSi3O9        PCOD3201105 R =  0.0179        3502.34    18.27
TiSi6O15       PCOD3203266 R =  0.0058         765.89    18.28
Ti2Si9O24      PCOD3202067 R =  0.0179        1203.46    18.28
TiSi2O7        PCOD3202736 R =  0.0196        1312.68    18.28
TiSiO5         PCOD3202523 R =  0.0175         874.37    18.30
TiSi6O15       PCOD3203528 R =  0.0057         764.86    18.30
TiSi6O15       PCOD3201119 R =  0.0094        1529.55    18.31
Ti4Si3O18      PCOD3202426 R =  0.0124         764.59    18.31
TiSi6O15       PCOD3201506 R =  0.0113        1528.97    18.31
Ti3Si4O17      PCOD3201029 R =  0.0101         764.25    18.32
TiSi6O15       PCOD3202907 R =  0.0146        1528.48    18.32
TiSi18O39      PCOD3201084 R =  0.0180        1036.81    18.33
Ti3Si8O25      PCOD3201256 R =  0.0140        1200.43    18.33
Ti4Si9O30      PCOD3201056 R =  0.0162        1418.41    18.33
TiSi3O9        PCOD3202257 R =  0.0176         436.39    18.33
TiSi4O11       PCOD3201569 R =  0.0147        1090.94    18.33
Ti3Si2O13      PCOD3201838 R =  0.0131        2180.67    18.34
Ti2Si3O12      PCOD3202451 R =  0.0174         545.12    18.34
Ti4Si17O46     PCOD3202701 R =  0.0106        2289.35    18.35
Ti4Si15O42     PCOD3203709 R =  0.0082        1035.46    18.35
TiSi2O7        PCOD3203538 R =  0.0153        1307.63    18.35
TiSi3O9        PCOD3202310 R =  0.0100         871.71    18.35
TiSi3O9        PCOD3202931 R =  0.0118         871.70    18.35
TiSi5O13       PCOD3202041 R =  0.0086        1306.50    18.37
Ti2Si3O12      PCOD3201950 R =  0.0056         544.25    18.37
Ti4Si3O18      PCOD3203714 R =  0.0190         380.88    18.38
Ti3Si2O13      PCOD3202613 R =  0.0097        1088.07    18.38
TiSi2O7        PCOD3201959 R =  0.0059         652.54    18.39
TiSi12O27      PCOD3201165 R =  0.0183        2119.50    18.40
Ti2Si3O12      PCOD3202260 R =  0.0121         543.36    18.40
TiSi9O21       PCOD3203018 R =  0.0191        1629.73    18.41
Ti2Si3O12      PCOD3203779 R =  0.0177        1086.43    18.41
Ti4Si9O30      PCOD3202914 R =  0.0158        1412.14    18.41
TiSiO5         PCOD3202814 R =  0.0188        1302.51    18.43
TiSiO5         PCOD3201927 R =  0.0050         868.22    18.43
TiSi8O19       PCOD3203288 R =  0.0146         976.65    18.43
TiSi6O15       PCOD3203251 R =  0.0176         759.58    18.43
Ti2Si5O16      PCOD3202142 R =  0.0180         759.47    18.43
TiSi2O7        PCOD3202502 R =  0.0088        1301.88    18.43
TiSi4O11       PCOD3201495 R =  0.0122        1084.70    18.44
TiSi6O15       PCOD3201933 R =  0.0058         759.03    18.44
TiSi9O21       PCOD3202093 R =  0.0146        1084.03    18.45
TiSi3O9        PCOD3202619 R =  0.0164         867.01    18.45
TiSi8O19       PCOD3201473 R =  0.0096         974.95    18.46
Ti12SiO38      PCOD3202062 R =  0.0134        1408.19    18.46
TiSi6O15       PCOD3201032 R =  0.0110        1137.30    18.46
TiSi2O7        PCOD3203317 R =  0.0178        1461.93    18.47
Ti2SiO8        PCOD3202897 R =  0.0069        1299.43    18.47
Ti3SiO11       PCOD3202628 R =  0.0152         865.89    18.48
TiSi4O11       PCOD3202298 R =  0.0098         540.99    18.48
Ti3Si4O17      PCOD3201676 R =  0.0061        1514.44    18.49
TiSi9O21       PCOD3203324 R =  0.0180        2163.30    18.49
Ti2SiO8        PCOD3201737 R =  0.0189         648.93    18.49
TiSi3O9        PCOD3203391 R =  0.0137         865.20    18.49
TiSi3O9        PCOD3202163 R =  0.0129         865.14    18.49
TiSi2O7        PCOD3202190 R =  0.0184         648.41    18.51
Ti5Si4O23      PCOD3201216 R =  0.0089        1944.26    18.52
TiSi2O7        PCOD3201215 R =  0.0102        1295.64    18.52
TiSi6O15       PCOD3202385 R =  0.0136         755.46    18.53
TiSi6O15       PCOD3202621 R =  0.0127        1510.72    18.53
Ti3Si2O13      PCOD3201708 R =  0.0075         539.52    18.53
Ti3Si8O25      PCOD3202026 R =  0.0079         593.45    18.54
TiSi3O9        PCOD3202546 R =  0.0105         863.17    18.54
TiSi14O31      PCOD3202802 R =  0.0198        1618.06    18.54
TiSi4O11       PCOD3203490 R =  0.0144        1078.42    18.55
TiSi3O9        PCOD3203657 R =  0.0093         862.02    18.56
TiSi8O19       PCOD3202634 R =  0.0154        1939.44    18.56
TiSi6O15       PCOD3201887 R =  0.0109        1507.89    18.57
TiSi6O15       PCOD3202746 R =  0.0195         753.93    18.57
TiSi6O15       PCOD3202141 R =  0.0157         753.58    18.58
Ti5Si4O23      PCOD3203764 R =  0.0080        1937.77    18.58
TiSi10O23      PCOD3203131 R =  0.0200        1183.15    18.59
Ti2SiO8        PCOD3203481 R =  0.0049         645.12    18.60
TiSi3O9        PCOD3202484 R =  0.0179         859.25    18.62
TiSiO5         PCOD3202819 R =  0.0105         644.31    18.62
Ti5Si6O27      PCOD3203546 R =  0.0072        1180.53    18.64
TiSi2O7        PCOD3202118 R =  0.0117         321.77    18.65
TiSi6O15       PCOD3202837 R =  0.0127        1501.01    18.65
TiSi2O7        PCOD3201104 R =  0.0118        1286.58    18.65
TiSi3O9        PCOD3202561 R =  0.0163         857.59    18.66
TiSi12O27      PCOD3201985 R =  0.0067         696.79    18.66
Ti3Si7O23      PCOD3202152 R =  0.0096         535.59    18.67
TiSi2O7        PCOD3201982 R =  0.0070         642.64    18.67
TiSi15O33      PCOD3201181 R =  0.0158        5140.92    18.67
TiSi3O9        PCOD3201281 R =  0.0066        3426.69    18.68
Ti2SiO8        PCOD3202845 R =  0.0064         321.16    18.68
TiSi10O23      PCOD3202224 R =  0.0152         588.62    18.69
Ti2Si3O12      PCOD3201728 R =  0.0134        1070.02    18.69
TiSi18O39      PCOD3201262 R =  0.0158        4063.67    18.70
Ti3Si2O13      PCOD3201868 R =  0.0074        2138.71    18.70
Ti4Si9O30      PCOD3201877 R =  0.0180        1389.88    18.71
TiSi6O15       PCOD3203244 R =  0.0143         373.78    18.73
Ti2SiO8        PCOD3201698 R =  0.0083         640.59    18.73
Ti13Si2O43     PCOD3203428 R =  0.0191        2402.11    18.73
TiSi8O19       PCOD3202717 R =  0.0152         960.75    18.74
TiSi4O11       PCOD3201447 R =  0.0069        2134.36    18.74
TiSi6O15       PCOD3202143 R =  0.0115         746.85    18.75
Ti5Si4O23      PCOD3203190 R =  0.0089         960.01    18.75
TiSi6O15       PCOD3202229 R =  0.0140         746.42    18.76
TiSi6O15       PCOD3202223 R =  0.0172         373.09    18.76
Ti2Si3O12      PCOD3202439 R =  0.0152         532.90    18.77
TiSi4O11       PCOD3201232 R =  0.0102        1065.76    18.77
TiSi4O11       PCOD3201729 R =  0.0194        1065.08    18.78
TiSi9O21       PCOD3203434 R =  0.0096        1065.04    18.78
TiSiO5         PCOD3201124 R =  0.0069         851.46    18.79
Ti4Si13O38     PCOD3203077 R =  0.0100         904.58    18.79
TiSi6O15       PCOD3202726 R =  0.0186         744.84    18.80
TiSiO5         PCOD3202895 R =  0.0084        1063.93    18.80
TiSi3O9        PCOD3202539 R =  0.0109         851.06    18.80
Ti2Si27O60     PCOD3203790 R =  0.0160        6168.25    18.81
TiSi2O7        PCOD3202173 R =  0.0117         318.70    18.83
Ti3Si8O25      PCOD3202251 R =  0.0191        1168.25    18.83
TiSi3O9        PCOD3201111 R =  0.0099        3394.95    18.85
TiSi15O33      PCOD3202830 R =  0.0132         848.47    18.86
TiSi8O19       PCOD3203718 R =  0.0177        1908.52    18.86
TiSi3O9        PCOD3202187 R =  0.0153         848.07    18.87
TiSi9O21       PCOD3201257 R =  0.0085        2119.93    18.87
Ti2Si3O12      PCOD3203284 R =  0.0077        1059.72    18.87
TiSi2O7        PCOD3201738 R =  0.0181         635.80    18.87
TiSi4O11       PCOD3201612 R =  0.0190        1059.49    18.88
Ti4Si9O30      PCOD3203225 R =  0.0121        1377.07    18.88
TiSi2O7        PCOD3201054 R =  0.0138        1270.97    18.88
TiSi4O11       PCOD3202625 R =  0.0116        1058.99    18.89
TiSi5O13       PCOD3202881 R =  0.0127         635.15    18.89
TiSi3O9        PCOD3202511 R =  0.0120         846.71    18.90
TiSi3O9        PCOD3202166 R =  0.0075         846.63    18.90
Ti2Si5O16      PCOD3203137 R =  0.0153        1481.26    18.90
TiSi6O15       PCOD3202112 R =  0.0113         370.13    18.91
TiSi3O9        PCOD3201559 R =  0.0180         845.87    18.92
TiSi21O45      PCOD3203232 R =  0.0191        2325.72    18.92
Ti3Si10O29     PCOD3201857 R =  0.0171        2748.28    18.92
Ti2SiO8        PCOD3201095 R =  0.0031         634.13    18.92
Ti2Si3O12      PCOD3201173 R =  0.0084         528.44    18.92
TiSi2O7        PCOD3201948 R =  0.0060         633.76    18.93
TiSi12O27      PCOD3202833 R =  0.0165        1372.88    18.94
TiSi7O17       PCOD3203346 R =  0.0123        1689.69    18.94
TiSi5O13       PCOD3201818 R =  0.0096        1267.21    18.94
TiSi3O9        PCOD3201201 R =  0.0059         844.77    18.94
Ti2SiO8        PCOD3201751 R =  0.0194        1266.98    18.94
TiSi2O7        PCOD3203171 R =  0.0100         949.87    18.95
TiSi6O15       PCOD3201239 R =  0.0119        1477.31    18.95
TiSi2O7        PCOD3202528 R =  0.0138        1266.10    18.96
TiSiO5         PCOD3203338 R =  0.0095         422.03    18.96
Ti5Si2O19      PCOD3201404 R =  0.0186         738.54    18.96
Ti3Si2O13      PCOD3202384 R =  0.0182         527.51    18.96
TiSiO5         PCOD3202508 R =  0.0134         421.89    18.96
Ti2Si3O12      PCOD3201190 R =  0.0134        1054.71    18.96
TiSi7O17       PCOD3201813 R =  0.0198        1687.14    18.97
Ti4Si13O38     PCOD3201145 R =  0.0129        1792.26    18.97
TiSi3O9        PCOD3202429 R =  0.0172         843.13    18.98
TiSi7O17       PCOD3202308 R =  0.0148         843.09    18.98
Ti5Si2O19      PCOD3203306 R =  0.0200         737.42    18.99
TiSi2O7        PCOD3201184 R =  0.0074         947.99    18.99
TiSi6O15       PCOD3201008 R =  0.0185         737.15    18.99
Ti7Si6O33      PCOD3203619 R =  0.0171        1368.81    18.99
Ti3Si2O13      PCOD3201911 R =  0.0040        1052.88    19.00
TiSi10O23      PCOD3202979 R =  0.0199        1158.02    19.00
TiSi2O7        PCOD3201110 R =  0.0093        1263.16    19.00
Ti3Si2O13      PCOD3201828 R =  0.0068        1052.46    19.00
TiSi5O13       PCOD3201775 R =  0.0140        1262.75    19.01
Ti4Si5O22      PCOD3202995 R =  0.0080         947.05    19.01
Ti3Si4O17      PCOD3202295 R =  0.0177         736.27    19.01
Ti3Si2O13      PCOD3201978 R =  0.0073         525.89    19.02
TiSi4O11       PCOD3201816 R =  0.0178        1051.56    19.02
TiSi3O9        PCOD3202170 R =  0.0138         420.56    19.02
TiSiO5         PCOD3201943 R =  0.0064        1261.36    19.03
TiSi6O15       PCOD3201450 R =  0.0172        1471.57    19.03
TiSi2O7        PCOD3201113 R =  0.0139        2522.33    19.03
TiSi12O27      PCOD3203021 R =  0.0161        1365.80    19.04
TiSi2O7        PCOD3203638 R =  0.0124        1260.67    19.04
Ti2Si9O24      PCOD3202803 R =  0.0146        1155.47    19.04
Ti3Si14O37     PCOD3203034 R =  0.0185        1785.04    19.05
TiSi3O9        PCOD3202022 R =  0.0086         419.79    19.06
Ti7Si12O45     PCOD3201306 R =  0.0168        3987.67    19.06
Ti4SiO14       PCOD3201858 R =  0.0143        1049.04    19.07
Ti3Si5O19      PCOD3203226 R =  0.0161        2517.64    19.07
TiSi5O13       PCOD3202363 R =  0.0127         629.36    19.07
TiSi6O15       PCOD3201919 R =  0.0049         367.12    19.07
TiSi6O15       PCOD3201987 R =  0.0073         734.16    19.07
TiSi20O43      PCOD3201253 R =  0.0116        2202.30    19.07
TiSiO5         PCOD3202988 R =  0.0053         838.96    19.07
TiSi3O9        PCOD3202447 R =  0.0106         838.95    19.07
TiSi3O9        PCOD3203281 R =  0.0126         838.74    19.08
TiSi6O15       PCOD3202981 R =  0.0184         733.75    19.08
TiSi7O17       PCOD3202496 R =  0.0101         838.38    19.08
TiSi4O11       PCOD3201457 R =  0.0184        2095.87    19.09
TiSi7O17       PCOD3203392 R =  0.0199        1676.39    19.09
TiSiO5         PCOD3201831 R =  0.0075         838.05    19.09
TiSi6O15       PCOD3201584 R =  0.0144         733.23    19.09
TiSi6O15       PCOD3201426 R =  0.0186         732.85    19.10
TiSi2O7        PCOD3202882 R =  0.0136         942.20    19.10
TiSiO5         PCOD3201109 R =  0.0102        1674.99    19.10
Ti3Si2O13      PCOD3201923 R =  0.0049         523.43    19.10
TiSi4O11       PCOD3201058 R =  0.0166        1046.80    19.11
TiSi6O15       PCOD3203407 R =  0.0100         732.63    19.11
TiSiO5         PCOD3202756 R =  0.0091        1255.51    19.12
TiSiO5         PCOD3201811 R =  0.0175         836.63    19.12
TiSi12O27      PCOD3201865 R =  0.0113        5437.15    19.13
TiSi6O15       PCOD3201585 R =  0.0131         731.62    19.14
Ti3Si2O13      PCOD3201102 R =  0.0077        1044.86    19.14
TiSiO5         PCOD3203479 R =  0.0085        1253.46    19.15
TiSi4O11       PCOD3203682 R =  0.0087        1044.17    19.15
TiSi6O15       PCOD3201905 R =  0.0040         730.85    19.16
Ti3Si2O13      PCOD3201264 R =  0.0052        1566.03    19.16
Ti2Si9O24      PCOD3203743 R =  0.0189        2296.52    19.16
Ti2Si9O24      PCOD3203165 R =  0.0126        1147.03    19.18
TiSi6O15       PCOD3201673 R =  0.0093        1459.81    19.18
TiSiO5         PCOD3203436 R =  0.0076         625.61    19.18
Ti3Si2O13      PCOD3201913 R =  0.0046        1042.67    19.18
TiSi6O15       PCOD3201884 R =  0.0103        1459.60    19.18
TiSi6O15       PCOD3203595 R =  0.0153        5837.52    19.19
TiSi4O11       PCOD3201954 R =  0.0061        1042.32    19.19
TiSi7O17       PCOD3201350 R =  0.0084        1667.13    19.19
TiSi12O27      PCOD3203612 R =  0.0161        2708.93    19.20
TiSi7O17       PCOD3201994 R =  0.0078        1666.16    19.21
TiSi3O9        PCOD3202262 R =  0.0180         416.53    19.21
TiSi2O7        PCOD3203182 R =  0.0171        1249.12    19.21
Ti3SiO11       PCOD3203427 R =  0.0088        1248.76    19.22
TiSi11O25      PCOD3201794 R =  0.0163        1248.71    19.22
TiSiO5         PCOD3203774 R =  0.0052         416.21    19.22
TiSi4O11       PCOD3202650 R =  0.0144        1040.36    19.22
TiSi2O7        PCOD3202857 R =  0.0092         935.98    19.23
TiSi6O15       PCOD3202344 R =  0.0127         727.82    19.24
TiSi6O15       PCOD3201167 R =  0.0086        2183.32    19.24
Ti2SiO8        PCOD3203558 R =  0.0130        1247.46    19.24
TiSi6O15       PCOD3201289 R =  0.0140        2909.60    19.25
TiSi6O15       PCOD3203751 R =  0.0194        2909.55    19.25
TiSi9O21       PCOD3201234 R =  0.0112        1039.00    19.25
TiSi4O11       PCOD3201620 R =  0.0200         519.45    19.25
TiSi6O15       PCOD3203540 R =  0.0087         727.20    19.25
TiSi4O11       PCOD3201836 R =  0.0107        1038.85    19.25
TiSiO5         PCOD3203298 R =  0.0081        1662.08    19.25
TiSi12O27      PCOD3203482 R =  0.0144        1350.40    19.25
TiSi12O27      PCOD3202957 R =  0.0191         675.16    19.25
TiSi6O15       PCOD3201780 R =  0.0152        1454.16    19.26
Ti3Si4O17      PCOD3203533 R =  0.0128        2181.17    19.26
TiSi7O17       PCOD3203342 R =  0.0185        1660.68    19.27
TiSi4O11       PCOD3202036 R =  0.0084        1037.87    19.27
TiSiO5         PCOD3203358 R =  0.0197        1659.91    19.28
Ti2Si21O48     PCOD3201166 R =  0.0114        3578.69    19.28
Ti2Si3O12      PCOD3202055 R =  0.0095         518.63    19.28
TiSi6O15       PCOD3203087 R =  0.0098        1088.99    19.28
TiSiO5         PCOD3201026 R =  0.0047         207.42    19.28
TiSi5O13       PCOD3203776 R =  0.0170         622.15    19.29
TiSi8O19       PCOD3201973 R =  0.0073         466.54    19.29
Ti6Si5O28      PCOD3202939 R =  0.0174        2280.80    19.29
TiSi4O11       PCOD3202898 R =  0.0162        1036.58    19.29
TiSi4O11       PCOD3202109 R =  0.0102         259.09    19.30
Ti2SiO8        PCOD3201011 R =  0.0164         621.75    19.30
TiSi4O11       PCOD3201610 R =  0.0076        1036.09    19.30
Ti3SiO11       PCOD3201486 R =  0.0103         414.39    19.31
TiSi2O7        PCOD3202456 R =  0.0140         621.58    19.31
Ti2Si9O24      PCOD3203803 R =  0.0150        2279.09    19.31
TiSi4O11       PCOD3201338 R =  0.0198        1035.75    19.31
TiSi12O27      PCOD3201295 R =  0.0070        5385.56    19.31
TiSi6O15       PCOD3203332 R =  0.0189        1449.76    19.31
TiSi5O13       PCOD3203608 R =  0.0192        2483.89    19.32
Ti4SiO14       PCOD3202754 R =  0.0140         517.47    19.32
TiSi2O7        PCOD3202927 R =  0.0129         620.72    19.33
Ti6SiO20       PCOD3201318 R =  0.0130         724.07    19.34
TiSi3O9        PCOD3203239 R =  0.0066         413.66    19.34
Ti5Si2O19      PCOD3202894 R =  0.0189        1447.61    19.34
TiSi2O7        PCOD3203043 R =  0.0140        1240.79    19.34
TiSi2O7        PCOD3203667 R =  0.0069        1240.55    19.35
TiSi5O13       PCOD3203684 R =  0.0146        2480.71    19.35
TiSi4O11       PCOD3202131 R =  0.0138         516.76    19.35
TiSi2O7        PCOD3203568 R =  0.0097         620.00    19.35
TiSi9O21       PCOD3203440 R =  0.0160        4132.66    19.36
TiSiO5         PCOD3203594 R =  0.0084        1859.45    19.36
TiSi3O9        PCOD3201961 R =  0.0050        1239.11    19.37
TiSi6O15       PCOD3201988 R =  0.0072         722.68    19.37
Ti4SiO14       PCOD3203609 R =  0.0106         515.74    19.39
TiSi2O7        PCOD3201906 R =  0.0050         618.88    19.39
TiSiO5         PCOD3202786 R =  0.0064         825.08    19.39
TiSi6O15       PCOD3202838 R =  0.0143        1443.63    19.40
TiSi6O15       PCOD3203325 R =  0.0173         721.79    19.40
TiSi4O11       PCOD3202436 R =  0.0134         515.56    19.40
TiSi8O19       PCOD3203206 R =  0.0188        1856.00    19.40
TiSi2O7        PCOD3201195 R =  0.0164         927.84    19.40
Ti2Si13O32     PCOD3202901 R =  0.0149        3092.69    19.40
TiSi6O15       PCOD3203089 R =  0.0148        1443.24    19.40
TiSi5O13       PCOD3202117 R =  0.0165         309.23    19.40
TiSi2O7        PCOD3202864 R =  0.0089        1236.83    19.40
TiSiO5         PCOD3203233 R =  0.0160         618.40    19.40
Ti2SiO8        PCOD3201750 R =  0.0196         618.24    19.41
Ti3SiO11       PCOD3201551 R =  0.0169         824.15    19.41
TiSiO5         PCOD3201977 R =  0.0065         824.10    19.42
TiSi2O7        PCOD3202003 R =  0.0083         618.05    19.42
Ti3Si4O17      PCOD3203535 R =  0.0078        2162.88    19.42
TiSi3O9        PCOD3202232 R =  0.0100         411.96    19.42
TiSi2O7        PCOD3202506 R =  0.0124         617.78    19.42
TiSiO5         PCOD3202567 R =  0.0063         823.52    19.43
TiSi7O17       PCOD3201789 R =  0.0177        1645.15    19.45
TiSi3O9        PCOD3201241 R =  0.0045         411.24    19.45
TiSi6O15       PCOD3201454 R =  0.0100        1438.43    19.47
TiSi2O7        PCOD3202238 R =  0.0118         308.21    19.47
TiSi3O9        PCOD3202129 R =  0.0151         410.93    19.47
TiSiO5         PCOD3203446 R =  0.0146         821.68    19.47
TiSiO5         PCOD3201004 R =  0.0048         410.80    19.47
TiSi2O7        PCOD3202286 R =  0.0104         616.15    19.48
TiSi4O11       PCOD3203448 R =  0.0070        1026.86    19.48
Ti2Si21O48     PCOD3203268 R =  0.0177        1180.69    19.48
TiSi6O15       PCOD3203295 R =  0.0196        1437.18    19.48
Ti5SiO17       PCOD3202849 R =  0.0151        1231.86    19.48
TiSi6O15       PCOD3202493 R =  0.0193         718.46    19.49
Ti2SiO8        PCOD3201261 R =  0.0064        1846.59    19.50
Ti5Si4O23      PCOD3201155 R =  0.0044         461.57    19.50
Ti4Si9O30      PCOD3203616 R =  0.0196         666.54    19.50
TiSi10O23      PCOD3202584 R =  0.0129        1127.91    19.51
Ti3Si8O25      PCOD3201187 R =  0.0171        1127.82    19.51
TiSi2O7        PCOD3202518 R =  0.0149        2460.33    19.51
TiSi2O7        PCOD3203748 R =  0.0118         614.94    19.51
TiSi6O15       PCOD3203091 R =  0.0195        1434.74    19.52
Ti11Si8O49     PCOD3203478 R =  0.0163         973.45    19.52
Ti3Si2O13      PCOD3201821 R =  0.0089        1024.67    19.52
TiSi4O11       PCOD3202592 R =  0.0081        1024.52    19.52
TiSi17O37      PCOD3201038 R =  0.0118        1844.12    19.52
Ti2Si5O16      PCOD3202683 R =  0.0185        1434.26    19.52
TiSi6O15       PCOD3202622 R =  0.0176        1434.20    19.52
TiSi3O9        PCOD3203686 R =  0.0188        1639.04    19.52
TiSi2O7        PCOD3202381 R =  0.0163         614.48    19.53
Ti7Si12O45     PCOD3203273 R =  0.0103        3891.52    19.53
TiSi15O33      PCOD3203586 R =  0.0182        4914.90    19.53
TiSi7O17       PCOD3203663 R =  0.0101        3276.08    19.54
Ti3Si5O19      PCOD3203710 R =  0.0138        3275.48    19.54
TiSi4O11       PCOD3203085 R =  0.0187        2303.04    19.54
Ti5Si8O31      PCOD3203760 R =  0.0120        1330.11    19.55
Ti2Si3O12      PCOD3201471 R =  0.0180         511.54    19.55
TiSi15O33      PCOD3201086 R =  0.0189        1636.92    19.55
TiSi2O7        PCOD3201244 R =  0.0191         613.66    19.55
TiSiO5         PCOD3201914 R =  0.0042         408.85    19.57
TiSi4O11       PCOD3201325 R =  0.0148        1021.76    19.57
Ti2Si3O12      PCOD3201028 R =  0.0108        1021.22    19.58
TiSi6O15       PCOD3203110 R =  0.0060         357.41    19.59
TiSiO5         PCOD3203120 R =  0.0092        1633.61    19.59
TiSi10O23      PCOD3203381 R =  0.0146         561.53    19.59
TiSi6O15       PCOD3202491 R =  0.0137         714.67    19.59
Ti7Si2O25      PCOD3202581 R =  0.0195         918.66    19.59
TiSi3O9        PCOD3202668 R =  0.0144        1632.94    19.60
TiSi2O7        PCOD3201407 R =  0.0166        1224.64    19.60
Ti3Si4O17      PCOD3203072 R =  0.0137        1428.54    19.60
TiSi2O7        PCOD3202438 R =  0.0125         306.09    19.60
TiSi2O7        PCOD3203283 R =  0.0181        1224.20    19.60
TiSi6O15       PCOD3201221 R =  0.0122        2855.59    19.61
TiSi2O7        PCOD3202013 R =  0.0082         611.84    19.61
Ti6SiO20       PCOD3203426 R =  0.0187        1427.40    19.62
TiSi3O9        PCOD3201081 R =  0.0078        1223.30    19.62
TiSi6O15       PCOD3203617 R =  0.0160        1070.34    19.62
TiSi6O15       PCOD3201042 R =  0.0153        2853.91    19.62
Ti2SiO8        PCOD3203637 R =  0.0139         611.55    19.62
TiSi2O7        PCOD3202039 R =  0.0090         611.37    19.63
Ti2Si3O12      PCOD3202578 R =  0.0184        1018.75    19.63
TiSi5O13       PCOD3203124 R =  0.0159        1222.45    19.63
TiSi7O17       PCOD3202663 R =  0.0171        1629.86    19.63
TiSi6O15       PCOD3201843 R =  0.0078        2851.89    19.64
TiSi4O11       PCOD3201984 R =  0.0076         509.25    19.64
Ti2Si5O16      PCOD3201542 R =  0.0083         712.81    19.64
TiSi2O7        PCOD3201998 R =  0.0082         610.87    19.64
TiSi6O15       PCOD3201935 R =  0.0059         712.47    19.65
TiSi3O9        PCOD3203269 R =  0.0127        1221.35    19.65
TiSi2O7        PCOD3202024 R =  0.0091         610.64    19.65
Ti2Si3O12      PCOD3201033 R =  0.0031        1526.23    19.66
TiSiO5         PCOD3201238 R =  0.0131        1831.41    19.66
TiSi18O39      PCOD3201276 R =  0.0169        1932.74    19.66
TiSi6O15       PCOD3201624 R =  0.0121        1423.73    19.67
Ti2Si5O16      PCOD3201466 R =  0.0078        1423.18    19.67
TiSiO5         PCOD3202071 R =  0.0069         813.23    19.67
TiSi5O13       PCOD3201885 R =  0.0162        2439.33    19.68
Ti2Si3O12      PCOD3201294 R =  0.0176        4064.29    19.68
TiSiO5         PCOD3202410 R =  0.0144         812.85    19.68
Ti2Si3O12      PCOD3203209 R =  0.0177        1015.98    19.69
TiSi4O11       PCOD3202414 R =  0.0143        1015.82    19.69
TiSi20O43      PCOD3201083 R =  0.0191        2132.72    19.69
TiSi4O11       PCOD3203112 R =  0.0130        3046.57    19.69
Ti2Si3O12      PCOD3201317 R =  0.0148         507.71    19.70
TiSi2O7        PCOD3202183 R =  0.0181         609.11    19.70
TiSi3O9        PCOD3202921 R =  0.0186         812.12    19.70
TiSiO5         PCOD3203394 R =  0.0171        1623.59    19.71
TiSi6O15       PCOD3203117 R =  0.0176         710.25    19.71
TiSi4O11       PCOD3203691 R =  0.0154        1014.62    19.71
Ti2Si13O32     PCOD3202942 R =  0.0105         760.90    19.71
TiSi3O9        PCOD3202090 R =  0.0160         405.81    19.71
TiSi2O7        PCOD3201886 R =  0.0097        1217.40    19.71
TiSi12O27      PCOD3203641 R =  0.0100         659.29    19.72
TiSi5O13       PCOD3203634 R =  0.0143        1217.04    19.72
TiSi2O7        PCOD3201899 R =  0.0033         304.19    19.72
Ti4Si5O22      PCOD3202812 R =  0.0148        1825.01    19.73
TiSi3O9        PCOD3201660 R =  0.0072        1622.16    19.73
TiSi4O11       PCOD3203453 R =  0.0111        1013.45    19.73
TiSi2O7        PCOD3201796 R =  0.0114        1215.54    19.74
TiSi4O11       PCOD3202294 R =  0.0167         506.42    19.75
TiSi7O17       PCOD3201097 R =  0.0114         810.23    19.75
TiSi3O9        PCOD3201655 R =  0.0189         405.11    19.75
TiSi2O7        PCOD3202499 R =  0.0182        1215.00    19.75
TiSi6O15       PCOD3201745 R =  0.0160         708.55    19.76
Ti2SiO8        PCOD3203569 R =  0.0128         607.27    19.76
Ti2Si3O12      PCOD3203584 R =  0.0195        1012.06    19.76
Ti3Si2O13      PCOD3202693 R =  0.0078        2024.06    19.76
Ti11Si14O61    PCOD3202083 R =  0.0116        1265.03    19.76
TiSi7O17       PCOD3202867 R =  0.0140         809.59    19.76
TiSi4O11       PCOD3203466 R =  0.0194        1011.85    19.77
Ti4Si3O18      PCOD3203697 R =  0.0188        1416.59    19.77
Ti4SiO14       PCOD3201662 R =  0.0142        1011.74    19.77
TiSi2O7        PCOD3202476 R =  0.0102         607.03    19.77
TiSi2O7        PCOD3202512 R =  0.0132         607.02    19.77
Ti2SiO8        PCOD3202266 R =  0.0106         303.48    19.77
TiSi2O7        PCOD3203429 R =  0.0188        1820.86    19.77
TiSi3O9        PCOD3202435 R =  0.0137         404.55    19.78
TiSi6O15       PCOD3202780 R =  0.0157         707.92    19.78
Ti3Si2O13      PCOD3203530 R =  0.0151        1011.20    19.78
TiSi6O15       PCOD3201667 R =  0.0127        1415.58    19.78
TiSi2O7        PCOD3203400 R =  0.0032         303.33    19.78
TiSiO5         PCOD3202847 R =  0.0100        1617.47    19.78
TiSi5O13       PCOD3201734 R =  0.0143        1212.34    19.80
TiSi3O9        PCOD3202505 R =  0.0199         808.00    19.80
TiSi6O15       PCOD3203352 R =  0.0138        1413.85    19.80
Ti3SiO11       PCOD3203472 R =  0.0175        1615.80    19.80
Ti2Si7O20      PCOD3203133 R =  0.0157         908.65    19.81
TiSi2O7        PCOD3202047 R =  0.0097         605.63    19.81
TiSiO5         PCOD3202032 R =  0.0053         807.01    19.83
Ti3Si2O13      PCOD3201540 R =  0.0138         504.33    19.83
TiSi11O25      PCOD3203355 R =  0.0194        1210.37    19.83
TiSi5O13       PCOD3201134 R =  0.0179        2420.06    19.83
Ti2Si9O24      PCOD3203293 R =  0.0195        1109.17    19.83
TiSi2O7        PCOD3202048 R =  0.0097         604.98    19.84
TiSi6O15       PCOD3202054 R =  0.0089         705.55    19.84
Ti2SiO8        PCOD3201931 R =  0.0053         604.73    19.84
TiSi6O15       PCOD3201969 R =  0.0069         705.49    19.84
Ti3Si4O17      PCOD3202724 R =  0.0139         705.30    19.85
TiSi4O11       PCOD3201944 R =  0.0060         503.67    19.85
TiSi2O7        PCOD3201898 R =  0.0035         301.82    19.88
TiSi2O7        PCOD3202947 R =  0.0098         905.39    19.88
TiSi6O15       PCOD3203491 R =  0.0140        1408.25    19.88
TiSi5O13       PCOD3203208 R =  0.0158         603.51    19.88
TiSi4O11       PCOD3203204 R =  0.0150        1005.67    19.89
Ti5Si4O23      PCOD3203467 R =  0.0087        1810.07    19.89
TiSi4O11       PCOD3203369 R =  0.0194        2011.12    19.89
TiSi6O15       PCOD3201777 R =  0.0169        1407.56    19.89
Ti3Si4O17      PCOD3201849 R =  0.0153        1407.52    19.89
Ti3Si4O17      PCOD3203493 R =  0.0043        1407.41    19.89
Ti3Si4O17      PCOD3203003 R =  0.0088         703.67    19.90
TiSi10O23      PCOD3203055 R =  0.0082        1105.68    19.90
TiSi6O15       PCOD3202321 R =  0.0101         703.59    19.90
TiSiO5         PCOD3202402 R =  0.0108         401.99    19.90
TiSi2O7        PCOD3202020 R =  0.0088         602.93    19.90
Ti4Si13O38     PCOD3201117 R =  0.0149        1708.03    19.91
TiSi3O9        PCOD3201046 R =  0.0196        1607.23    19.91
TiSi18O39      PCOD3203327 R =  0.0170         954.18    19.91
TiSi6O15       PCOD3201832 R =  0.0119        1406.05    19.91
TiSiO5         PCOD3201907 R =  0.0041         401.49    19.93
TiSiO5         PCOD3201711 R =  0.0186        1605.86    19.93
TiSi6O15       PCOD3201477 R =  0.0092         702.53    19.93
TiSi2O7        PCOD3202016 R =  0.0097         301.07    19.93
TiSi3O9        PCOD3202031 R =  0.0075         401.34    19.93
Ti7Si12O45     PCOD3201307 R =  0.0108        3812.39    19.94
Ti2Si3O12      PCOD3202974 R =  0.0173        1003.11    19.94
TiSi5O13       PCOD3201507 R =  0.0187        1203.41    19.94
TiSi10O23      PCOD3203051 R =  0.0139        1103.01    19.95
TiSi8O19       PCOD3202288 R =  0.0179         902.41    19.95
TiSi4O11       PCOD3203716 R =  0.0177        4010.51    19.95
TiSi4O11       PCOD3202242 R =  0.0170         501.17    19.95
TiSi6O15       PCOD3201792 R =  0.0092        1403.05    19.96
Ti3Si8O25      PCOD3203728 R =  0.0176        1102.35    19.96
Ti2Si9O24      PCOD3203326 R =  0.0184        1102.32    19.96
TiSi11O25      PCOD3203630 R =  0.0200        2404.88    19.96
TiSi6O15       PCOD3203287 R =  0.0149        1402.25    19.97
TiSi2O7        PCOD3201746 R =  0.0154         300.48    19.97
Ti3Si8O25      PCOD3201156 R =  0.0052         550.87    19.97
Ti2Si9O24      PCOD3201803 R =  0.0155        1101.32    19.98
TiSi9O21       PCOD3201090 R =  0.0163        4004.78    19.98
TiSi6O15       PCOD3201378 R =  0.0090        1401.66    19.98
Ti2SiO8        PCOD3203796 R =  0.0052         300.24    19.98
TiSi4O11       PCOD3203181 R =  0.0159        1000.72    19.99
TiSi3O9        PCOD3202413 R =  0.0116         800.51    19.99
TiSi6O15       PCOD3202767 R =  0.0197        1400.39    19.99
TiSi9O21       PCOD3203432 R =  0.0129        1000.26    19.99
TiSi4O11       PCOD3202406 R =  0.0113         999.85    20.00
TiSi4O11       PCOD3201955 R =  0.0064         999.78    20.00
Ti5Si2O19      PCOD3203669 R =  0.0191        2799.33    20.00
TiSi2O7        PCOD3202234 R =  0.0127         599.76    20.01
Ti4Si9O30      PCOD3201222 R =  0.0093        2598.83    20.01
Ti3Si2O13      PCOD3203296 R =  0.0199         999.15    20.02
Ti4Si9O30      PCOD3201149 R =  0.0155        2597.22    20.02
TiSi15O33      PCOD3201304 R =  0.0138        6392.91    20.02
Ti3Si8O25      PCOD3201157 R =  0.0055         549.37    20.02
Ti3Si4O17      PCOD3201635 R =  0.0080        1398.32    20.02
Ti4Si3O18      PCOD3203102 R =  0.0173         699.15    20.02
TiSi4O11       PCOD3201735 R =  0.0133         998.62    20.03
TiSi9O21       PCOD3203331 R =  0.0125        1997.18    20.03
TiSi2O7        PCOD3203188 R =  0.0073         898.44    20.03
TiSiO5         PCOD3203694 R =  0.0169        1197.85    20.04
Ti3Si4O17      PCOD3201717 R =  0.0167        1397.39    20.04
TiSiO5         PCOD3201415 R =  0.0195        3193.56    20.04
Ti3SiO11       PCOD3202723 R =  0.0088         399.00    20.05
TiSi3O9        PCOD3202126 R =  0.0128         398.97    20.05
Ti7Si12O45     PCOD3203113 R =  0.0067        3789.36    20.06
Ti3Si4O17      PCOD3202471 R =  0.0164         697.81    20.06
TiSiO5         PCOD3201697 R =  0.0177         797.16    20.07
TiSi4O11       PCOD3202743 R =  0.0174        1992.68    20.07
TiSi7O17       PCOD3202445 R =  0.0106         797.06    20.07
TiSiO5         PCOD3202992 R =  0.0196         797.04    20.07
TiSiO5         PCOD3203412 R =  0.0086         398.47    20.08
TiSiO5         PCOD3201826 R =  0.0151         796.92    20.08
TiSi4O11       PCOD3202912 R =  0.0177         996.07    20.08
Ti3Si5O19      PCOD3201576 R =  0.0187        1593.39    20.08
Ti2SiO8        PCOD3202256 R =  0.0179         298.73    20.09
Ti5Si2O19      PCOD3202250 R =  0.0168         696.90    20.09
Ti12Si5O46     PCOD3203256 R =  0.0189        1691.59    20.10
TiSi9O21       PCOD3203122 R =  0.0178        1989.83    20.10
TiSi5O13       PCOD3202452 R =  0.0152         596.82    20.11
TiSi9O21       PCOD3202955 R =  0.0130        1989.00    20.11
TiSi4O11       PCOD3203621 R =  0.0182         497.18    20.11
TiSi7O17       PCOD3203214 R =  0.0164        1590.94    20.11
Ti3Si10O29     PCOD3201519 R =  0.0193        2584.40    20.12
Ti2Si7O20      PCOD3202070 R =  0.0158        1789.07    20.12
Ti4Si3O18      PCOD3203689 R =  0.0152         695.74    20.12
TiSi4O11       PCOD3202139 R =  0.0124         496.94    20.12
TiSi3O9        PCOD3201784 R =  0.0192         795.09    20.12
TiSi7O17       PCOD3203004 R =  0.0193        1590.08    20.12
TiSi3O9        PCOD3203524 R =  0.0153        1192.50    20.13
TiSi6O15       PCOD3203592 R =  0.0163         347.79    20.13
TiSi2O7        PCOD3201966 R =  0.0071        1192.34    20.13
TiSi6O15       PCOD3202275 R =  0.0146         695.40    20.13
TiSi6O15       PCOD3201226 R =  0.0061        2781.01    20.14
TiSi2O7        PCOD3201582 R =  0.0168         595.92    20.14
TiSi3O9        PCOD3202924 R =  0.0187        1787.59    20.14
TiSi3O9        PCOD3203245 R =  0.0068         794.47    20.14
TiSi3O9        PCOD3201154 R =  0.0127        1787.40    20.14
TiSi21O45      PCOD3201192 R =  0.0110        2184.50    20.14
Ti7Si6O33      PCOD3203158 R =  0.0159         645.39    20.14
TiSi3O9        PCOD3201406 R =  0.0066         794.18    20.15
TiSi5O13       PCOD3201690 R =  0.0125        1191.24    20.15
TiSi8O19       PCOD3203019 R =  0.0184        1339.90    20.15
TiSi6O15       PCOD3202338 R =  0.0185         694.56    20.16
TiSi3O9        PCOD3202645 R =  0.0100         793.77    20.16
TiSi4O11       PCOD3202598 R =  0.0112         992.18    20.16
TiSi2O7        PCOD3201444 R =  0.0157        1190.24    20.16
TiSiO5         PCOD3203747 R =  0.0056         793.45    20.17
TiSi2O7        PCOD3201408 R =  0.0079        1190.14    20.17
TiSi6O15       PCOD3202865 R =  0.0192        1388.32    20.17
TiSiO5         PCOD3203119 R =  0.0111         793.09    20.17
TiSi9O21       PCOD3201036 R =  0.0159        1982.70    20.17
TiSiO5         PCOD3201952 R =  0.0050         793.02    20.18
Ti2Si7O20      PCOD3202418 R =  0.0167         892.02    20.18
TiSi4O11       PCOD3201275 R =  0.0182         495.54    20.18
Ti2Si3O12      PCOD3202104 R =  0.0098         247.77    20.18
TiSi4O11       PCOD3202920 R =  0.0127         990.99    20.18
Ti2Si3O12      PCOD3202367 R =  0.0169         495.47    20.18
TiSi12O27      PCOD3203510 R =  0.0177        2576.43    20.18
TiSi4O11       PCOD3201916 R =  0.0049         495.44    20.18
TiSi2O7        PCOD3201876 R =  0.0132        1188.69    20.19
Ti2Si5O16      PCOD3202969 R =  0.0172         693.39    20.19
TiSi8O19       PCOD3201107 R =  0.0131        1782.84    20.19
TiSiO5         PCOD3202631 R =  0.0122         792.29    20.19
Ti2SiO8        PCOD3201393 R =  0.0102         594.13    20.20
Ti3Si2O13      PCOD3202691 R =  0.0108        1980.21    20.20
Ti2Si13O32     PCOD3201151 R =  0.0142        2969.78    20.20
TiSi6O15       PCOD3202468 R =  0.0186         692.94    20.20
TiSi2O7        PCOD3202698 R =  0.0193        1187.86    20.20
TiSiO5         PCOD3201106 R =  0.0151         791.70    20.21
TiSi4O11       PCOD3203547 R =  0.0193         989.57    20.21
TiSi4O11       PCOD3203500 R =  0.0176         989.42    20.21
TiSi5O13       PCOD3201767 R =  0.0135        1187.25    20.21
TiSi10O23      PCOD3201402 R =  0.0186        1088.16    20.22
TiSi2O7        PCOD3201912 R =  0.0050         296.66    20.23
TiSi6O15       PCOD3202151 R =  0.0178         346.10    20.23
Ti2SiO8        PCOD3201674 R =  0.0125         593.30    20.23
Ti2SiO8        PCOD3202314 R =  0.0187         593.00    20.24
TiSi2O7        PCOD3202114 R =  0.0108         296.48    20.24
TiSi6O15       PCOD3201825 R =  0.0121        1383.14    20.24
TiSi2O7        PCOD3202396 R =  0.0180         592.67    20.25
Ti4SiO14       PCOD3201146 R =  0.0176         493.77    20.25
TiSi3O9        PCOD3202977 R =  0.0152         789.75    20.26
TiSi2O7        PCOD3202642 R =  0.0049         592.26    20.26
TiSiO5         PCOD3203028 R =  0.0095         197.42    20.26
TiSi4O11       PCOD3201282 R =  0.0094        5922.49    20.26
TiSi6O15       PCOD3201315 R =  0.0138        1381.76    20.26
TiSi3O9        PCOD3201010 R =  0.0075        1579.02    20.27
TiSiO5         PCOD3201679 R =  0.0164         789.48    20.27
TiSi4O11       PCOD3203152 R =  0.0163         493.42    20.27
TiSiO5         PCOD3202477 R =  0.0146         789.26    20.27
TiSi10O23      PCOD3201799 R =  0.0087        1084.96    20.28
TiSi2O7        PCOD3203711 R =  0.0055         591.72    20.28
TiSi3O9        PCOD3203687 R =  0.0124         788.87    20.28
Ti2Si7O20      PCOD3201062 R =  0.0184        1774.70    20.29
Ti3Si2O13      PCOD3202775 R =  0.0174        2218.34    20.29
TiSi12O27      PCOD3203405 R =  0.0128        5126.76    20.29
TiSi2O7        PCOD3203707 R =  0.0109         887.24    20.29
TiSi2O7        PCOD3203800 R =  0.0179         591.41    20.29
TiSi2O7        PCOD3202473 R =  0.0139         591.35    20.29
TiSi2O7        PCOD3201172 R =  0.0170         443.50    20.29
Ti3Si2O13      PCOD3202521 R =  0.0194         985.53    20.29
TiSi6O15       PCOD3201504 R =  0.0117         689.87    20.29
TiSi5O13       PCOD3201611 R =  0.0145        1182.44    20.30
TiSi3O9        PCOD3202012 R =  0.0047         787.84    20.31
Ti3Si4O17      PCOD3201647 R =  0.0101        1378.60    20.31
TiSi6O15       PCOD3201573 R =  0.0187        2756.58    20.32
TiSi12O27      PCOD3202079 R =  0.0173         639.81    20.32
TiSi5O13       PCOD3201810 R =  0.0139        1180.36    20.33
TiSi5O13       PCOD3201082 R =  0.0100         590.14    20.33
TiSiO5         PCOD3201714 R =  0.0093        1573.37    20.34
Ti2Si9O24      PCOD3203323 R =  0.0119         540.83    20.34
Ti2Si3O12      PCOD3203259 R =  0.0141        2949.94    20.34
TiSiO5         PCOD3203542 R =  0.0153         786.59    20.34
Ti3Si2O13      PCOD3201724 R =  0.0182         983.17    20.34
TiSi6O15       PCOD3202643 R =  0.0133        1376.21    20.35
Ti2SiO8        PCOD3203443 R =  0.0108         294.87    20.35
Ti2Si3O12      PCOD3203189 R =  0.0146         982.77    20.35
TiSi2O7        PCOD3201940 R =  0.0054         589.50    20.36
TiSiO5         PCOD3201805 R =  0.0175         785.77    20.36
TiSi5O13       PCOD3201006 R =  0.0061         589.31    20.36
TiSi14O31      PCOD3201891 R =  0.0146        2946.37    20.36
TiSi6O15       PCOD3201956 R =  0.0062         687.44    20.37
Ti4Si5O22      PCOD3201024 R =  0.0156        3535.22    20.37
TiSi3O9        PCOD3202551 R =  0.0104         785.60    20.37
Ti4Si9O30      PCOD3201252 R =  0.0178        1276.49    20.37
TiSi4O11       PCOD3203768 R =  0.0045         245.46    20.37
Ti2SiO8        PCOD3202913 R =  0.0150        1767.25    20.37
TiSi5O13       PCOD3202728 R =  0.0124        1178.10    20.37
Ti4SiO14       PCOD3202261 R =  0.0163         490.87    20.37
TiSi3O9        PCOD3202719 R =  0.0049        3141.34    20.37
Ti5Si2O19      PCOD3201405 R =  0.0115         687.07    20.38
TiSi6O15       PCOD3202378 R =  0.0174         686.97    20.38
Ti5Si3O21      PCOD3201489 R =  0.0195         785.07    20.38
TiSi8O19       PCOD3203502 R =  0.0123         883.19    20.38
TiSi2O7        PCOD3201910 R =  0.0047         294.33    20.39
TiSi3O9        PCOD3202461 R =  0.0102         784.61    20.39
TiSi12O27      PCOD3202916 R =  0.0168        1274.78    20.40
TiSiO5         PCOD3201926 R =  0.0056         784.42    20.40
TiSi7O17       PCOD3203199 R =  0.0146         784.29    20.40
Ti2SiO8        PCOD3201883 R =  0.0113        1176.31    20.40
TiSi2O7        PCOD3202503 R =  0.0116        1176.28    20.40
TiSi5O13       PCOD3203184 R =  0.0093        2352.45    20.40
TiSi3O9        PCOD3202535 R =  0.0121         783.90    20.41
TiSi2O7        PCOD3201527 R =  0.0114         587.78    20.42
TiSi6O15       PCOD3203243 R =  0.0190        1371.03    20.42
TiSi4O11       PCOD3201957 R =  0.0066         489.64    20.42
TiSi6O15       PCOD3202236 R =  0.0132         685.23    20.43
Ti2SiO8        PCOD3202549 R =  0.0170         587.30    20.43
TiSiO5         PCOD3202758 R =  0.0171         782.94    20.44
TiSi8O19       PCOD3202760 R =  0.0158        1761.29    20.44
TiSi4O11       PCOD3201760 R =  0.0128         978.32    20.44
TiSi10O23      PCOD3203060 R =  0.0129        2151.96    20.45
TiSi10O23      PCOD3202859 R =  0.0120        1075.57    20.45
TiSi4O11       PCOD3203456 R =  0.0088         977.78    20.45
TiSi18O39      PCOD3203031 R =  0.0127         928.78    20.46
Ti2Si3O12      PCOD3202387 R =  0.0137         488.74    20.46
TiSiO5         PCOD3202555 R =  0.0189         781.93    20.46
Ti3Si2O13      PCOD3201409 R =  0.0182        1954.66    20.46
Ti4Si11O34     PCOD3201278 R =  0.0131        2931.80    20.47
Ti3Si7O23      PCOD3201839 R =  0.0084        1952.67    20.48
TiSi3O9        PCOD3203738 R =  0.0190        1562.06    20.49
TiSi3O9        PCOD3202349 R =  0.0163        1561.93    20.49
TiSi4O11       PCOD3202507 R =  0.0153         976.20    20.49
TiSi5O13       PCOD3201781 R =  0.0184        1171.37    20.49
Ti2SiO8        PCOD3201333 R =  0.0178         585.55    20.49
Ti2Si3O12      PCOD3203722 R =  0.0137         731.82    20.50
Ti2Si3O12      PCOD3203106 R =  0.0139        1463.63    20.50
Ti2Si7O20      PCOD3203469 R =  0.0129         878.00    20.50
TiSiO5         PCOD3202583 R =  0.0119         780.44    20.50
TiSi2O7        PCOD3201597 R =  0.0134         585.30    20.50
Ti2Si11O28     PCOD3201137 R =  0.0145        2536.26    20.50
TiSi11O25      PCOD3202950 R =  0.0079        1170.56    20.50
TiSi2O7        PCOD3201752 R =  0.0113         585.18    20.51
TiSi4O11       PCOD3201455 R =  0.0198         975.28    20.51
Ti3Si2O13      PCOD3203350 R =  0.0176         975.20    20.51
TiSi6O15       PCOD3202415 R =  0.0190        1365.16    20.51
Ti2SiO8        PCOD3203746 R =  0.0103         585.01    20.51
TiSi8O19       PCOD3201878 R =  0.0098        1754.64    20.52
TiSi6O15       PCOD3203001 R =  0.0180        1364.45    20.52
TiSi4O11       PCOD3201793 R =  0.0142         974.45    20.52
TiSi6O15       PCOD3203579 R =  0.0181         341.04    20.53
TiSi3O9        PCOD3202990 R =  0.0070         779.49    20.53
TiSi6O15       PCOD3202745 R =  0.0170        1363.34    20.54
TiSi3O9        PCOD3202647 R =  0.0126         778.96    20.54
Ti4Si5O22      PCOD3203309 R =  0.0197        1752.58    20.54
TiSi6O15       PCOD3202530 R =  0.0187        1362.89    20.54
TiSi4O11       PCOD3201863 R =  0.0196        1946.90    20.55
TiSi2O7        PCOD3203539 R =  0.0115         584.02    20.55
TiSi2O7        PCOD3201614 R =  0.0065         583.96    20.55
Ti2SiO8        PCOD3202602 R =  0.0171         583.95    20.55
TiSi10O23      PCOD3201356 R =  0.0156        2141.04    20.55
TiSi8O19       PCOD3203438 R =  0.0090         437.64    20.56
Ti2Si5O16      PCOD3202470 R =  0.0147         680.67    20.57
TiSi2O7        PCOD3201347 R =  0.0138        1166.86    20.57
Ti4Si17O46     PCOD3201199 R =  0.0126        1021.00    20.57
TiSiO5         PCOD3201329 R =  0.0194        1555.50    20.57
Ti2SiO8        PCOD3202201 R =  0.0134         583.22    20.58
TiSi4O11       PCOD3201197 R =  0.0105        5832.08    20.58
Ti5Si8O31      PCOD3203763 R =  0.0129        2526.71    20.58
TiSi5O13       PCOD3202120 R =  0.0122         291.52    20.58
TiSi8O19       PCOD3203658 R =  0.0135         874.46    20.58
TiSi4O11       PCOD3203388 R =  0.0200        1942.94    20.59
TiSi5O13       PCOD3201892 R =  0.0192        2331.45    20.59
TiSi4O11       PCOD3202610 R =  0.0103         971.43    20.59
TiSi4O11       PCOD3203414 R =  0.0086         971.39    20.59
TiSi8O19       PCOD3203559 R =  0.0117        1748.36    20.59
Ti2Si9O24      PCOD3203007 R =  0.0172        2136.88    20.59
TiSi4O11       PCOD3202105 R =  0.0145         242.80    20.59
TiSi2O7        PCOD3203463 R =  0.0156        1165.40    20.59
TiSi4O11       PCOD3201103 R =  0.0158         970.97    20.60
TiSi3O9        PCOD3201248 R =  0.0047        1165.16    20.60
Ti3Si4O17      PCOD3201653 R =  0.0087        2718.65    20.60
TiSi3O9        PCOD3201544 R =  0.0187         776.75    20.60
Ti2Si9O24      PCOD3203587 R =  0.0110        3203.98    20.60
TiSiO5         PCOD3201830 R =  0.0150         776.72    20.60
TiSi10O23      PCOD3203231 R =  0.0165         533.98    20.60
TiSi3O9        PCOD3202167 R =  0.0118         776.31    20.61
TiSi2O7        PCOD3201044 R =  0.0166         582.22    20.61
Ti3SiO11       PCOD3201528 R =  0.0188         776.05    20.62
TiSi3O9        PCOD3201733 R =  0.0171        3103.95    20.62
Ti4SiO14       PCOD3202063 R =  0.0171         969.98    20.62
TiSi10O23      PCOD3202545 R =  0.0167        1066.88    20.62
TiSi4O11       PCOD3201425 R =  0.0128         969.87    20.62
TiSi2O7        PCOD3201474 R =  0.0131         872.71    20.63
TiSi6O15       PCOD3201822 R =  0.0152        1357.50    20.63
TiSi4O11       PCOD3201726 R =  0.0123         969.54    20.63
Ti2Si17O40     PCOD3203078 R =  0.0138        1842.08    20.63
TiSi4O11       PCOD3201976 R =  0.0070         242.37    20.63
TiSi4O11       PCOD3203386 R =  0.0118         969.19    20.64
TiSi4O11       PCOD3203216 R =  0.0145         969.15    20.64
Ti3Si2O13      PCOD3201598 R =  0.0189         969.01    20.64
TiSi5O13       PCOD3202209 R =  0.0181        1162.65    20.64
TiSiO5         PCOD3202757 R =  0.0118         387.52    20.64
Ti3Si2O13      PCOD3201549 R =  0.0182         968.75    20.65
Ti7Si6O33      PCOD3203328 R =  0.0145         629.66    20.65
TiSi2O7        PCOD3203162 R =  0.0180        1307.72    20.65
TiSi4O11       PCOD3202497 R =  0.0118         968.30    20.65
TiSi8O19       PCOD3202315 R =  0.0105         871.20    20.66
TiSi4O11       PCOD3203054 R =  0.0145         967.90    20.66
TiSi6O15       PCOD3201779 R =  0.0131        1354.79    20.67
TiSi4O11       PCOD3202195 R =  0.0167         967.68    20.67
TiSi2O7        PCOD3203246 R =  0.0161        1161.03    20.67
TiSi4O11       PCOD3203015 R =  0.0159         725.53    20.67
Ti2SiO8        PCOD3203382 R =  0.0124         580.40    20.68
TiSi4O11       PCOD3203577 R =  0.0195         967.25    20.68
TiSi6O15       PCOD3201773 R =  0.0164        1354.07    20.68
TiSi2O7        PCOD3203223 R =  0.0169        2611.40    20.68
TiSi6O15       PCOD3203765 R =  0.0184        2708.07    20.68
TiSi6O15       PCOD3203176 R =  0.0154        1354.03    20.68
TiSi2O7        PCOD3203555 R =  0.0038        1160.56    20.68
TiSi6O15       PCOD3203215 R =  0.0142        1353.97    20.68
TiSi5O13       PCOD3201476 R =  0.0182        1160.37    20.68
TiSi2O7        PCOD3201920 R =  0.0050         290.07    20.68
Ti2Si5O16      PCOD3203445 R =  0.0179        1353.40    20.69
TiSi6O15       PCOD3201854 R =  0.0071        1353.28    20.69
Ti2Si9O24      PCOD3201207 R =  0.0121         531.59    20.69
TiSi5O13       PCOD3201334 R =  0.0090        1159.80    20.69
TiSi8O19       PCOD3202800 R =  0.0191        1739.47    20.70
TiSi9O21       PCOD3203108 R =  0.0198        3865.23    20.70
TiSi4O11       PCOD3203415 R =  0.0138         966.29    20.70
Ti2Si11O28     PCOD3201130 R =  0.0115        2511.53    20.70
TiSi4O11       PCOD3201030 R =  0.0056         482.96    20.71
TiSi7O17       PCOD3201731 R =  0.0196        1545.41    20.71
TiSi7O17       PCOD3201634 R =  0.0198        1545.36    20.71
TiSiO5         PCOD3201414 R =  0.0171        3090.63    20.71
TiSi6O15       PCOD3202285 R =  0.0106         675.94    20.71
TiSi5O13       PCOD3202967 R =  0.0072        2317.10    20.72
Ti2Si3O12      PCOD3202964 R =  0.0148         965.44    20.72
TiSi5O13       PCOD3202155 R =  0.0187         289.63    20.72
TiSi8O19       PCOD3203462 R =  0.0113        1737.26    20.72
TiSi2O7        PCOD3202015 R =  0.0079         579.06    20.72
TiSi4O11       PCOD3202987 R =  0.0155         965.07    20.72
Ti2SiO8        PCOD3203116 R =  0.0186         579.01    20.73
TiSiO5         PCOD3201691 R =  0.0184         772.01    20.73
Ti4Si5O22      PCOD3201229 R =  0.0186         868.50    20.73
Ti3SiO11       PCOD3203314 R =  0.0181         578.96    20.73
TiSi4O11       PCOD3203307 R =  0.0166         482.43    20.73
TiSi2O7        PCOD3201240 R =  0.0174         868.15    20.73
TiSi9O21       PCOD3203588 R =  0.0164         964.45    20.74
TiSi10O23      PCOD3201174 R =  0.0174        1060.82    20.74
TiSi4O11       PCOD3202821 R =  0.0181        1446.38    20.74
TiSi3O9        PCOD3201321 R =  0.0121         771.39    20.74
TiSi4O11       PCOD3203242 R =  0.0167         964.19    20.74
TiSiO5         PCOD3202446 R =  0.0149         771.34    20.74
TiSi6O15       PCOD3201946 R =  0.0062         674.91    20.74
TiSi4O11       PCOD3201844 R =  0.0122        1928.29    20.74
Ti2Si9O24      PCOD3202153 R =  0.0143         530.27    20.74
TiSi4O11       PCOD3201002 R =  0.0121        1927.70    20.75
TiSi8O19       PCOD3202282 R =  0.0107         867.46    20.75
TiSi4O11       PCOD3203628 R =  0.0182        1927.46    20.75
TiSi4O11       PCOD3202430 R =  0.0115         963.72    20.75
TiSiO5         PCOD3201628 R =  0.0151         770.82    20.76
TiSi2O7        PCOD3202862 R =  0.0050         578.02    20.76
TiSi4O11       PCOD3203277 R =  0.0149         963.17    20.76
TiSi6O15       PCOD3201629 R =  0.0130        1348.25    20.77
Ti2Si5O16      PCOD3202887 R =  0.0195        1348.07    20.77
TiSi4O11       PCOD3201361 R =  0.0121        1925.36    20.78
TiSi12O27      PCOD3201980 R =  0.0069        1877.13    20.78
Ti3Si2O13      PCOD3201575 R =  0.0200         962.62    20.78
TiSi3O9        PCOD3203780 R =  0.0080        1155.07    20.78
Ti3Si2O13      PCOD3202389 R =  0.0190         481.27    20.78
TiSi4O11       PCOD3202158 R =  0.0157         962.52    20.78
TiSi2O7        PCOD3203161 R =  0.0149         866.16    20.78
TiSi3O9        PCOD3202161 R =  0.0127         769.91    20.78
Ti2Si3O12      PCOD3202665 R =  0.0186         962.31    20.78
Ti3Si4O17      PCOD3201721 R =  0.0092        1347.16    20.78
TiSi9O21       PCOD3201590 R =  0.0172         962.12    20.79
TiSi5O13       PCOD3202872 R =  0.0173        1154.46    20.79
TiSi2O7        PCOD3202408 R =  0.0149         577.19    20.79
TiSi2O7        PCOD3201866 R =  0.0188        2308.15    20.80
TiSi6O15       PCOD3201958 R =  0.0062        1346.37    20.80
TiSi8O19       PCOD3201131 R =  0.0184        1730.80    20.80
TiSi5O13       PCOD3201834 R =  0.0182        1153.46    20.81
TiSi12O27      PCOD3202753 R =  0.0176        1249.55    20.81
TiSi3O9        PCOD3203321 R =  0.0191        1153.26    20.81
TiSiO5         PCOD3201419 R =  0.0152         576.63    20.81
Ti4Si5O22      PCOD3201066 R =  0.0169        1729.72    20.81
TiSi4O11       PCOD3203017 R =  0.0180         720.67    20.81
TiSi4O11       PCOD3203339 R =  0.0099         960.83    20.82
TiSi6O15       PCOD3201995 R =  0.0081         672.46    20.82
TiSi7O17       PCOD3202450 R =  0.0197         768.43    20.82
TiSi3O9        PCOD3201368 R =  0.0172         768.35    20.82
TiSi6O15       PCOD3203615 R =  0.0049         336.15    20.82
TiSi6O15       PCOD3202543 R =  0.0151         672.23    20.83
TiSi3O9        PCOD3203529 R =  0.0054         384.13    20.83
TiSi8O19       PCOD3202504 R =  0.0184        1728.17    20.83
TiSi2O7        PCOD3202986 R =  0.0134         863.92    20.84
Ti2Si5O16      PCOD3201515 R =  0.0155        1343.84    20.84
TiSi4O11       PCOD3203095 R =  0.0109         719.72    20.84
Ti7Si5O31      PCOD3203778 R =  0.0164        1151.47    20.84
TiSiO5         PCOD3202725 R =  0.0141        1535.02    20.85
TiSi5O13       PCOD3202146 R =  0.0129         575.59    20.85
TiSi12O27      PCOD3202095 R =  0.0155        1247.11    20.85
Ti4Si5O22      PCOD3202656 R =  0.0191         863.33    20.85
TiSi2O7        PCOD3201418 R =  0.0063         575.49    20.85
Ti2Si5O16      PCOD3203357 R =  0.0106         671.36    20.85
TiSi4O11       PCOD3203773 R =  0.0058         479.51    20.85
TiSi3O9        PCOD3202168 R =  0.0107         767.20    20.86
Ti2Si21O48     PCOD3203696 R =  0.0155        2205.52    20.86
TiSi4O11       PCOD3202443 R =  0.0102         479.39    20.86
TiSi12O27      PCOD3202226 R =  0.0185         623.18    20.86
TiSi6O15       PCOD3201993 R =  0.0066         670.99    20.86
TiSi2O7        PCOD3202416 R =  0.0145         862.57    20.87
TiSi3O9        PCOD3202050 R =  0.0097         766.65    20.87
Ti3Si4O17      PCOD3203042 R =  0.0159         670.75    20.87
Ti2Si5O16      PCOD3202073 R =  0.0107        1341.48    20.87
TiSi4O11       PCOD3203603 R =  0.0152         958.02    20.88
Ti4Si13O38     PCOD3201018 R =  0.0093        1628.62    20.88
TiSi2O7        PCOD3203050 R =  0.0097         862.02    20.88
Ti2Si3O12      PCOD3202144 R =  0.0129         478.87    20.88
TiSi5O13       PCOD3203160 R =  0.0183        1149.14    20.89
TiSi10O23      PCOD3201617 R =  0.0194        1053.36    20.89
Ti3Si4O17      PCOD3201555 R =  0.0142         669.98    20.90
TiSiO5         PCOD3201563 R =  0.0150         765.49    20.90
TiSi3O9        PCOD3202368 R =  0.0113         382.74    20.90
Ti3Si2O13      PCOD3201448 R =  0.0135         956.81    20.90
TiSi2O7        PCOD3203564 R =  0.0035        1147.71    20.91
TiSi4O11       PCOD3201850 R =  0.0124        1912.48    20.92
TiSi4O11       PCOD3202239 R =  0.0112         477.99    20.92
TiSi6O15       PCOD3201523 R =  0.0161        1338.31    20.92
TiSi8O19       PCOD3202681 R =  0.0109         860.26    20.92
TiSiO5         PCOD3201764 R =  0.0137         764.61    20.93
TiSi4O11       PCOD3201654 R =  0.0169        3822.04    20.93
TiSiO5         PCOD3202465 R =  0.0115         382.20    20.93
TiSi2O7        PCOD3202407 R =  0.0172         573.28    20.93
TiSi4O11       PCOD3203118 R =  0.0108         955.24    20.94
TiSi7O17       PCOD3201352 R =  0.0180        1528.27    20.94
TiSi6O15       PCOD3203086 R =  0.0157         334.27    20.94
TiSiO5         PCOD3203629 R =  0.0124         763.98    20.94
TiSi3O9        PCOD3203563 R =  0.0119        1527.86    20.94
TiSi2O7        PCOD3201077 R =  0.0183        1289.04    20.95
TiSi2O7        PCOD3203093 R =  0.0200         429.64    20.95
TiSi2O7        PCOD3202270 R =  0.0162         572.75    20.95
Ti4Si9O30      PCOD3201118 R =  0.0123        1240.74    20.96
TiSi4O11       PCOD3201685 R =  0.0098         954.34    20.96
TiSi3O9        PCOD3202644 R =  0.0120         763.40    20.96
Ti2Si7O20      PCOD3201214 R =  0.0143         858.76    20.96
TiSi4O11       PCOD3201391 R =  0.0095         954.04    20.96
Ti3Si2O13      PCOD3203581 R =  0.0161         953.82    20.97
TiSi6O15       PCOD3202231 R =  0.0127         667.58    20.97
TiSi3O9        PCOD3203213 R =  0.0186        1525.67    20.97
TiSi4O11       PCOD3203046 R =  0.0183         953.42    20.98
TiSi12O27      PCOD3203712 R =  0.0086        4956.87    20.98
Ti4Si15O42     PCOD3203111 R =  0.0108        1811.11    20.98
TiSi10O23      PCOD3202225 R =  0.0180         524.25    20.98
TiSi18O39      PCOD3203532 R =  0.0167        1811.04    20.98
Ti2Si5O16      PCOD3202670 R =  0.0154        1334.40    20.98
TiSi8O19       PCOD3202695 R =  0.0149        1715.16    20.99
TiSi6O15       PCOD3202341 R =  0.0142         667.00    20.99
TiSi4O11       PCOD3202330 R =  0.0189         476.39    20.99
Ti4Si9O30      PCOD3203425 R =  0.0172        2476.23    21.00
TiSi3O9        PCOD3203406 R =  0.0114         761.70    21.01
TiSi6O15       PCOD3202135 R =  0.0146         666.40    21.01
TiSi3O9        PCOD3202727 R =  0.0134         761.56    21.01
Ti2Si9O24      PCOD3203580 R =  0.0077        2093.55    21.02
Ti3Si2O13      PCOD3202515 R =  0.0114         951.61    21.02
TiSiO5         PCOD3202696 R =  0.0116         761.21    21.02
Ti3Si2O13      PCOD3201739 R =  0.0150         951.39    21.02
TiSi4O11       PCOD3201469 R =  0.0105         951.37    21.02
TiSi8O19       PCOD3202137 R =  0.0108         856.07    21.03
TiSi6O15       PCOD3201510 R =  0.0076        1331.61    21.03
TiSi3O9        PCOD3202171 R =  0.0143         380.33    21.03
TiSi4O11       PCOD3202033 R =  0.0091         475.36    21.04
TiSi4O11       PCOD3201922 R =  0.0055         475.26    21.04
Ti4Si13O38     PCOD3202771 R =  0.0168        1615.59    21.04
TiSi4O11       PCOD3201328 R =  0.0152        1900.41    21.05
TiSi10O23      PCOD3201797 R =  0.0086        1045.21    21.05
TiSi12O27      PCOD3203643 R =  0.0166        1235.18    21.05
TiSi10O23      PCOD3201211 R =  0.0180        1045.11    21.05
Ti5Si3O21      PCOD3203522 R =  0.0184        2280.22    21.05
TiSi7O17       PCOD3201357 R =  0.0173        1519.97    21.05
Ti2Si13O32     PCOD3202679 R =  0.0182         712.40    21.06
Ti3Si2O13      PCOD3203717 R =  0.0155         949.86    21.06
TiSi12O27      PCOD3202715 R =  0.0176        1234.79    21.06
TiSi4O11       PCOD3202536 R =  0.0107         949.79    21.06
Ti4Si3O18      PCOD3202478 R =  0.0174         664.85    21.06
TiSi4O11       PCOD3202893 R =  0.0163         949.78    21.06
TiSi4O11       PCOD3201112 R =  0.0162        3798.13    21.06
TiSi4O11       PCOD3201666 R =  0.0121        1898.84    21.07
Ti3Si4O17      PCOD3201577 R =  0.0147        1329.10    21.07
Ti2Si3O12      PCOD3203545 R =  0.0162         949.32    21.07
TiSi4O11       PCOD3203447 R =  0.0139        1898.47    21.07
TiSi5O13       PCOD3202891 R =  0.0123        1139.01    21.07
TiSi3O9        PCOD3202564 R =  0.0177         759.29    21.07
TiSi4O11       PCOD3202652 R =  0.0138         949.09    21.07
TiSi6O15       PCOD3202841 R =  0.0157         664.27    21.08
TiSi18O39      PCOD3203475 R =  0.0134        2704.30    21.08
TiSi4O11       PCOD3203474 R =  0.0130         711.57    21.08
TiSi4O11       PCOD3203340 R =  0.0180         948.73    21.08
TiSi6O15       PCOD3203062 R =  0.0132        1328.06    21.08
TiSi4O11       PCOD3203793 R =  0.0141        1897.19    21.08
TiSi4O11       PCOD3202014 R =  0.0083         474.15    21.09
TiSi6O15       PCOD3203408 R =  0.0128        1327.60    21.09
TiSi2O7        PCOD3202061 R =  0.0157        1137.59    21.10
Ti5Si8O31      PCOD3201139 R =  0.0188        2464.59    21.10
TiSi5O13       PCOD3201762 R =  0.0129        1137.42    21.10
TiSi4O11       PCOD3201546 R =  0.0137         947.61    21.11
TiSi2O7        PCOD3201889 R =  0.0148        1137.04    21.11
Ti3Si2O13      PCOD3203674 R =  0.0102        1421.11    21.11
TiSi2O7        PCOD3202797 R =  0.0186         852.57    21.11
TiSi6O15       PCOD3201981 R =  0.0078         663.06    21.11
TiSi2O7        PCOD3202040 R =  0.0093         568.23    21.12
TiSiO5         PCOD3202165 R =  0.0118         757.63    21.12
TiSi6O15       PCOD3202265 R =  0.0134         662.76    21.12
TiSi3O9        PCOD3201753 R =  0.0158         757.41    21.12
TiSi6O15       PCOD3203065 R =  0.0102        1325.38    21.13
TiSi6O15       PCOD3202635 R =  0.0093        1325.37    21.13
TiSi8O19       PCOD3203279 R =  0.0121         851.98    21.13
Ti5Si6O27      PCOD3203203 R =  0.0167         520.64    21.13
Ti3Si4O17      PCOD3201516 R =  0.0170        1325.11    21.13
TiSi4O11       PCOD3203200 R =  0.0160         946.34    21.13
TiSiO5         PCOD3203556 R =  0.0169         757.01    21.14
Ti2Si5O16      PCOD3203234 R =  0.0184        1324.50    21.14
TiSi5O13       PCOD3201861 R =  0.0174        2270.51    21.14
TiSi2O7        PCOD3201904 R =  0.0043         567.56    21.14
TiSi6O15       PCOD3203257 R =  0.0150        1324.13    21.15
TiSi5O13       PCOD3201545 R =  0.0154        1134.83    21.15
Ti2Si7O20      PCOD3203217 R =  0.0155        1702.21    21.15
TiSi8O19       PCOD3203081 R =  0.0094        1702.21    21.15
TiSi2O7        PCOD3201702 R =  0.0119         851.08    21.15
Ti3Si8O25      PCOD3202962 R =  0.0108        1040.08    21.15
TiSi2O7        PCOD3203154 R =  0.0151         850.84    21.16
TiSi3O9        PCOD3203561 R =  0.0184         756.29    21.16
TiSi4O11       PCOD3202346 R =  0.0144         472.58    21.16
TiSi8O19       PCOD3202876 R =  0.0162         850.59    21.16
Ti4Si13O38     PCOD3203061 R =  0.0198        1606.36    21.17
TiSi4O11       PCOD3201440 R =  0.0085         944.83    21.17
Ti3Si4O17      PCOD3203218 R =  0.0143         661.37    21.17
TiSi2O7        PCOD3201442 R =  0.0179        2267.53    21.17
TiSi3O9        PCOD3202245 R =  0.0109         755.79    21.17
TiSi9O21       PCOD3203645 R =  0.0116         944.66    21.17
TiSi6O15       PCOD3203633 R =  0.0191        1322.11    21.18
TiSi9O21       PCOD3202365 R =  0.0174         944.14    21.18
TiSi6O15       PCOD3203185 R =  0.0187        1321.79    21.18
TiSi12O27      PCOD3203512 R =  0.0056         613.59    21.19
Ti4Si9O30      PCOD3202871 R =  0.0096         613.57    21.19
Ti3Si2O13      PCOD3201456 R =  0.0120         943.83    21.19
TiSi4O11       PCOD3201732 R =  0.0110        1887.26    21.19
TiSi3O9        PCOD3201554 R =  0.0159         754.64    21.20
TiSi10O23      PCOD3203557 R =  0.0172        2075.08    21.20
TiSi2O7        PCOD3202123 R =  0.0150         282.96    21.20
TiSi12O27      PCOD3202825 R =  0.0156        1226.00    21.21
TiSi4O11       PCOD3202902 R =  0.0134         942.99    21.21
TiSi4O11       PCOD3203610 R =  0.0067         942.96    21.21
TiSi2O7        PCOD3201064 R =  0.0156        1697.06    21.21
Ti2Si3O12      PCOD3202501 R =  0.0177        1885.19    21.22
TiSi2O7        PCOD3202124 R =  0.0095         282.69    21.22
TiSi6O15       PCOD3202028 R =  0.0075        1318.71    21.23
Ti2Si5O16      PCOD3201665 R =  0.0145        2637.29    21.23
Ti5Si4O23      PCOD3201672 R =  0.0153        1695.27    21.24
TiSi4O11       PCOD3203349 R =  0.0197         941.56    21.24
TiSi5O13       PCOD3202149 R =  0.0178         564.92    21.24
TiSiO5         PCOD3201841 R =  0.0081        1506.31    21.24
TiSiO5         PCOD3202078 R =  0.0142         564.82    21.25
Ti2Si5O16      PCOD3203562 R =  0.0117         658.88    21.25
TiSiO5         PCOD3201991 R =  0.0080         752.98    21.25
Ti4Si3O18      PCOD3201122 R =  0.0176         658.84    21.25
TiSi8O19       PCOD3203367 R =  0.0167         847.06    21.25
TiSi6O15       PCOD3202297 R =  0.0132         658.80    21.25
TiSi15O33      PCOD3202948 R =  0.0163        1505.76    21.25
Ti2SiO8        PCOD3202434 R =  0.0197         564.59    21.25
Ti3Si2O13      PCOD3203650 R =  0.0118         470.25    21.27
Ti2Si5O16      PCOD3201218 R =  0.0089        1316.53    21.27
TiSi4O11       PCOD3203513 R =  0.0125         705.11    21.27
Ti3Si2O13      PCOD3201848 R =  0.0187         939.98    21.28
TiSi4O11       PCOD3201683 R =  0.0110         939.67    21.28
Ti2Si3O12      PCOD3203593 R =  0.0173         939.64    21.28
TiSi6O15       PCOD3201159 R =  0.0151         986.51    21.29
TiSi4O11       PCOD3201671 R =  0.0051         939.44    21.29
TiSi3O9        PCOD3201098 R =  0.0128        1502.98    21.29
TiSi4O11       PCOD3202509 R =  0.0159         939.35    21.29
TiSi3O9        PCOD3202162 R =  0.0139         751.43    21.29
TiSi6O15       PCOD3201778 R =  0.0186        1314.98    21.29
TiSi5O13       PCOD3203727 R =  0.0100         563.50    21.30
TiSi6O15       PCOD3201941 R =  0.0052         328.69    21.30
Ti2Si5O16      PCOD3202538 R =  0.0134         657.27    21.30
TiSi4O11       PCOD3201684 R =  0.0147         938.70    21.31
Ti2Si21O48     PCOD3203090 R =  0.0184        1079.46    21.31
Ti2Si3O12      PCOD3201351 R =  0.0185        1876.97    21.31
TiSi5O13       PCOD3202427 R =  0.0153        1126.15    21.31
TiSiO5         PCOD3201801 R =  0.0075         750.59    21.32
TiSi2O7        PCOD3202354 R =  0.0193        1125.73    21.32
Ti3Si2O13      PCOD3202866 R =  0.0096         937.99    21.32
TiSi6O15       PCOD3201983 R =  0.0079        1312.99    21.33
TiSi6O15       PCOD3202680 R =  0.0112         656.44    21.33
TiSi2O7        PCOD3201491 R =  0.0176         562.65    21.33
TiSi4O11       PCOD3202457 R =  0.0125         468.86    21.33
Ti4Si15O42     PCOD3201298 R =  0.0177        7126.46    21.33
TiSi8O19       PCOD3203753 R =  0.0099        1687.84    21.33
TiSiO5         PCOD3202734 R =  0.0167         750.11    21.33
TiSi4O11       PCOD3201331 R =  0.0159         937.49    21.33
Ti2Si5O16      PCOD3201730 R =  0.0165        1312.22    21.34
TiSi3O9        PCOD3202159 R =  0.0179         749.68    21.34
TiSi4O11       PCOD3201227 R =  0.0070        1873.87    21.35
TiSiO5         PCOD3201537 R =  0.0197         562.14    21.35
Ti2Si3O12      PCOD3201342 R =  0.0193         936.80    21.35
TiSi6O15       PCOD3201039 R =  0.0070         655.66    21.35
TiSi4O11       PCOD3201488 R =  0.0075         468.30    21.35
TiSi6O15       PCOD3203599 R =  0.0157        1311.12    21.36
TiSiO5         PCOD3201600 R =  0.0199        1123.65    21.36
TiSi12O27      PCOD3202082 R =  0.0161        1217.26    21.36
TiSiO5         PCOD3201754 R =  0.0155         749.00    21.36
Ti2Si5O16      PCOD3203623 R =  0.0194        1310.68    21.36
TiSi4O11       PCOD3201467 R =  0.0087         936.11    21.37
TiSi6O15       PCOD3203785 R =  0.0102        1310.49    21.37
TiSi4O11       PCOD3202928 R =  0.0090         467.94    21.37
TiSi3O9        PCOD3201230 R =  0.0135         748.65    21.37
Ti3Si2O13      PCOD3201719 R =  0.0191         935.78    21.37
Ti4Si7O26      PCOD3203422 R =  0.0149        2058.27    21.38
TiSi9O21       PCOD3201237 R =  0.0102         935.45    21.38
TiSi8O19       PCOD3201707 R =  0.0150         841.87    21.38
TiSi4O11       PCOD3203109 R =  0.0158         935.20    21.39
TiSi4O11       PCOD3202784 R =  0.0108         467.54    21.39
TiSi2O7        PCOD3203531 R =  0.0143        1683.09    21.39
TiSi4O11       PCOD3203037 R =  0.0066         233.76    21.39
TiSi3O9        PCOD3201909 R =  0.0048         747.92    21.39
TiSi4O11       PCOD3203681 R =  0.0130         934.88    21.39
TiSi6O15       PCOD3203354 R =  0.0098        1308.68    21.40
TiSi8O19       PCOD3201371 R =  0.0121         841.20    21.40
TiSiO5         PCOD3201535 R =  0.0164         373.85    21.40
TiSi2O7        PCOD3202808 R =  0.0190        1682.01    21.40
Ti3Si4O17      PCOD3203389 R =  0.0193        1308.18    21.40
TiSi3O9        PCOD3202325 R =  0.0146         747.52    21.40
TiSi15O33      PCOD3203024 R =  0.0103        1494.84    21.41
Ti2Si5O16      PCOD3201213 R =  0.0129         653.75    21.41
TiSi4O11       PCOD3201520 R =  0.0130         933.78    21.42
TiSi5O13       PCOD3202181 R =  0.0166         560.04    21.43
TiSiO5         PCOD3202874 R =  0.0123         746.67    21.43
TiSi4O11       PCOD3202157 R =  0.0079         933.21    21.43
TiSi3O9        PCOD3202204 R =  0.0139         746.41    21.44
TiSi8O19       PCOD3202248 R =  0.0149         839.65    21.44
TiSi2O7        PCOD3201815 R =  0.0158        1679.27    21.44
TiSiO5         PCOD3202609 R =  0.0142         746.09    21.45
Ti3Si2O13      PCOD3203740 R =  0.0190         466.22    21.45
TiSi7O17       PCOD3203045 R =  0.0147         745.95    21.45
TiSi2O7        PCOD3202289 R =  0.0143         559.46    21.45
TiSiO5         PCOD3201316 R =  0.0171         745.93    21.45
TiSi2O7        PCOD3202230 R =  0.0129         559.44    21.45
TiSi4O11       PCOD3201468 R =  0.0117         932.37    21.45
TiSi15O33      PCOD3203320 R =  0.0186        1491.57    21.45
Ti2Si3O12      PCOD3202579 R =  0.0149         932.09    21.46
TiSi4O11       PCOD3201392 R =  0.0157         466.03    21.46
TiSi5O13       PCOD3201791 R =  0.0150        1118.35    21.46
Ti2Si3O12      PCOD3203316 R =  0.0135         698.96    21.46
Ti2Si5O16      PCOD3201065 R =  0.0117        1304.45    21.46
Ti3SiO11       PCOD3202398 R =  0.0170         745.20    21.47
TiSi2O7        PCOD3203267 R =  0.0161         838.32    21.47
TiSiO5         PCOD3203565 R =  0.0127         745.03    21.48
TiSi10O23      PCOD3201808 R =  0.0162        2048.83    21.48
TiSi12O27      PCOD3202075 R =  0.0145         605.33    21.48
TiSi4O11       PCOD3201715 R =  0.0185        1862.32    21.48
TiSiO5         PCOD3203548 R =  0.0163         744.91    21.48
TiSi4O11       PCOD3202312 R =  0.0116         465.46    21.48
TiSi2O7        PCOD3202524 R =  0.0106        1117.00    21.49
TiSiO5         PCOD3201513 R =  0.0120         744.53    21.49
TiSiO5         PCOD3201802 R =  0.0197         744.53    21.49
Ti2Si5O16      PCOD3201449 R =  0.0181        2605.61    21.49
TiSi2O7        PCOD3201710 R =  0.0159        2233.36    21.49
TiSi6O15       PCOD3202851 R =  0.0069         651.23    21.50
Ti2Si3O12      PCOD3202996 R =  0.0163         930.24    21.50
TiSi4O11       PCOD3201989 R =  0.0068         465.06    21.50
TiSi2O7        PCOD3202486 R =  0.0137         558.05    21.50
TiSi2O7        PCOD3202843 R =  0.0151         558.05    21.50
Ti3Si8O25      PCOD3201286 R =  0.0145        2046.12    21.50
TiSi4O11       PCOD3203282 R =  0.0178         929.94    21.51
TiSi6O15       PCOD3202001 R =  0.0085        1301.84    21.51
TiSi2O7        PCOD3201204 R =  0.0167        1115.82    21.51
TiSi6O15       PCOD3201962 R =  0.0065         325.43    21.51
TiSi2O7        PCOD3203631 R =  0.0167        1115.72    21.51
TiSiO5         PCOD3203136 R =  0.0184        1115.61    21.51
TiSi6O15       PCOD3203125 R =  0.0195         650.66    21.52
TiSiO5         PCOD3202690 R =  0.0143         743.61    21.52
TiSi8O19       PCOD3203598 R =  0.0153         836.54    21.52
TiSi9O21       PCOD3202685 R =  0.0088        2788.43    21.52
TiSi3O9        PCOD3202160 R =  0.0136         743.46    21.52
TiSi6O15       PCOD3201013 R =  0.0176        1300.60    21.53
TiSi2O7        PCOD3203153 R =  0.0157         557.27    21.53
Ti2SiO8        PCOD3203228 R =  0.0176         835.89    21.53
TiSi12O27      PCOD3202770 R =  0.0116        1207.15    21.54
Ti8Si5O34      PCOD3202068 R =  0.0136        1207.05    21.54
TiSi6O15       PCOD3201517 R =  0.0162        1299.83    21.54
TiSi6O15       PCOD3201492 R =  0.0080         649.90    21.54
Ti2Si3O12      PCOD3203464 R =  0.0141         464.14    21.55
TiSi15O33      PCOD3203789 R =  0.0093        5940.52    21.55
TiSi12O27      PCOD3203777 R =  0.0154        1206.64    21.55
Ti2Si9O24      PCOD3201963 R =  0.0068         510.50    21.55
TiSi6O15       PCOD3201348 R =  0.0088        1299.29    21.55
Ti5Si6O27      PCOD3201480 R =  0.0195        1020.85    21.55
TiSi10O23      PCOD3201142 R =  0.0164        4083.27    21.55
TiSi3O9        PCOD3201749 R =  0.0128         742.41    21.55
TiSi5O13       PCOD3203494 R =  0.0134        1113.12    21.56
TiSi4O11       PCOD3203797 R =  0.0177         927.34    21.57
TiSiO5         PCOD3201851 R =  0.0138        1483.67    21.57
Ti2Si13O32     PCOD3203141 R =  0.0197         695.47    21.57
TiSi6O15       PCOD3202038 R =  0.0088        1298.21    21.57
TiSi4O11       PCOD3202397 R =  0.0154         927.22    21.57
TiSi6O15       PCOD3202692 R =  0.0184        1298.06    21.57
TiSi4O11       PCOD3201833 R =  0.0051         927.12    21.57
Ti3Si10O29     PCOD3203515 R =  0.0191        1807.75    21.57
TiSi4O11       PCOD3202646 R =  0.0126         926.95    21.58
TiSi4O11       PCOD3202787 R =  0.0187         926.64    21.58
Ti2Si3O12      PCOD3202453 R =  0.0178         463.30    21.58
TiSi4O11       PCOD3201297 R =  0.0105        2779.70    21.59
TiSi8O19       PCOD3201564 R =  0.0188         833.84    21.59
TiSi4O11       PCOD3202046 R =  0.0079         926.20    21.59
TiSi6O15       PCOD3201421 R =  0.0112        1296.53    21.60
TiSi4O11       PCOD3202273 R =  0.0114         462.98    21.60
Ti3Si16O41     PCOD3203229 R =  0.0197        1759.22    21.60
TiSi12O27      PCOD3201463 R =  0.0165        2407.13    21.60
TiSi2O7        PCOD3201379 R =  0.0149        1110.94    21.60
Ti2Si15O36     PCOD3202963 R =  0.0113        3147.12    21.61
TiSi8O19       PCOD3201164 R =  0.0138        1249.40    21.61
TiSiO5         PCOD3203221 R =  0.0154         740.37    21.61
TiSi9O21       PCOD3202778 R =  0.0158         925.45    21.61
TiSi12O27      PCOD3203703 R =  0.0115        2405.74    21.61
TiSi4O11       PCOD3202816 R =  0.0181         693.91    21.62
TiSi9O21       PCOD3203476 R =  0.0197        1387.78    21.62
TiSi4O11       PCOD3202302 R =  0.0103         462.58    21.62
TiSi2O7        PCOD3203442 R =  0.0103        1110.09    21.62
Ti3SiO11       PCOD3203219 R =  0.0153         739.56    21.63
TiSi2O7        PCOD3201601 R =  0.0123         277.32    21.64
TiSi2O7        PCOD3201435 R =  0.0156        1109.25    21.64
TiSi3O9        PCOD3202197 R =  0.0127         739.42    21.64
TiSi4O11       PCOD3201694 R =  0.0148         923.91    21.65
TiSi6O15       PCOD3201441 R =  0.0142        1293.21    21.65
TiSi4O11       PCOD3202412 R =  0.0139         923.59    21.65
TiSi6O15       PCOD3203693 R =  0.0064         646.49    21.66
TiSi4O11       PCOD3203363 R =  0.0126         923.16    21.66
TiSiO5         PCOD3202240 R =  0.0145         553.88    21.67
TiSi3O9        PCOD3202454 R =  0.0120         369.25    21.67
TiSi2O7        PCOD3201443 R =  0.0146        1107.45    21.67
TiSi3O9        PCOD3202892 R =  0.0162         738.26    21.67
TiSi12O27      PCOD3203030 R =  0.0166        1199.67    21.67
TiSi4O11       PCOD3203373 R =  0.0061        1845.51    21.67
TiSi7O17       PCOD3203027 R =  0.0156         738.15    21.68
TiSi5O13       PCOD3203014 R =  0.0136        1107.20    21.68
Ti2Si7O20      PCOD3202941 R =  0.0168        1660.71    21.68
Ti2Si3O12      PCOD3203402 R =  0.0125        2767.42    21.68
Ti4Si23O58     PCOD3203786 R =  0.0189        1244.50    21.70
TiSiO5         PCOD3201336 R =  0.0150         737.48    21.70
TiSi4O11       PCOD3203172 R =  0.0170         921.83    21.70
TiSiO5         PCOD3201682 R =  0.0143         737.40    21.70
Ti2Si21O48     PCOD3203378 R =  0.0177        1059.77    21.70
TiSi6O15       PCOD3201284 R =  0.0131        2580.20    21.70
TiSi5O13       PCOD3201594 R =  0.0131        1105.78    21.70
TiSi2O7        PCOD3202269 R =  0.0143         552.88    21.70
TiSi6O15       PCOD3202940 R =  0.0100        1289.87    21.71
TiSi4O11       PCOD3202807 R =  0.0147         921.26    21.71
TiSi3O9        PCOD3202481 R =  0.0177         736.90    21.71
Ti2Si3O12      PCOD3202360 R =  0.0179         921.01    21.72
TiSi2O7        PCOD3201974 R =  0.0071         552.56    21.72
Ti2Si9O24      PCOD3201296 R =  0.0161        4051.73    21.72
TiSi10O23      PCOD3201723 R =  0.0196        2025.72    21.72
TiSi4O11       PCOD3203758 R =  0.0111        1841.36    21.72
TiSi4O11       PCOD3202420 R =  0.0194         920.61    21.72
TiSi5O13       PCOD3202781 R =  0.0185        1104.70    21.73
TiSi6O15       PCOD3201144 R =  0.0120        2577.37    21.73
TiSiO5         PCOD3202034 R =  0.0093         736.24    21.73
Ti2Si5O16      PCOD3203567 R =  0.0165        2576.21    21.74
TiSi6O15       PCOD3202121 R =  0.0168         321.95    21.74
TiSi4O11       PCOD3201562 R =  0.0146         919.85    21.74
TiSi21O45      PCOD3203523 R =  0.0183        6069.32    21.75
TiSiO5         PCOD3202053 R =  0.0095         367.78    21.75
Ti4Si5O22      PCOD3201015 R =  0.0076         827.16    21.76
Ti4Si3O18      PCOD3203660 R =  0.0198         643.32    21.76
TiSi10O23      PCOD3203270 R =  0.0071        1010.89    21.76
Ti2Si5O16      PCOD3203101 R =  0.0143         643.22    21.77
TiSi8O19       PCOD3201557 R =  0.0180         826.93    21.77
TiSi18O39      PCOD3203261 R =  0.0194         872.79    21.77
TiSi6O15       PCOD3203701 R =  0.0166         643.10    21.77
TiSi6O15       PCOD3202708 R =  0.0197         643.09    21.77
TiSi6O15       PCOD3201725 R =  0.0176        1285.85    21.78
TiSi5O13       PCOD3201578 R =  0.0123        1102.11    21.78
TiSi5O13       PCOD3202044 R =  0.0125        1102.06    21.78
TiSi2O7        PCOD3203155 R =  0.0121        1101.99    21.78
Ti3Si2O13      PCOD3202968 R =  0.0145         459.08    21.78
TiSi2O7        PCOD3202460 R =  0.0179         550.82    21.79
TiSi4O11       PCOD3202971 R =  0.0107         918.01    21.79
TiSi6O15       PCOD3202383 R =  0.0130         642.52    21.79
TiSi6O15       PCOD3202614 R =  0.0102         642.44    21.79
TiSi4O11       PCOD3202206 R =  0.0181         917.73    21.79
Ti2Si3O12      PCOD3202599 R =  0.0175         917.70    21.79
TiSi8O19       PCOD3203409 R =  0.0199        1651.70    21.80
TiSi2O7        PCOD3201716 R =  0.0122        1101.09    21.80
TiSiO5         PCOD3202305 R =  0.0135         367.02    21.80
TiSi3O9        PCOD3202111 R =  0.0158         183.48    21.80
Ti2SiO8        PCOD3202218 R =  0.0197         550.38    21.80
Ti2Si5O16      PCOD3202469 R =  0.0123         641.99    21.81
Ti2Si3O12      PCOD3202351 R =  0.0121         917.10    21.81
TiSi2O7        PCOD3201410 R =  0.0069        1100.48    21.81
TiSi5O13       PCOD3202207 R =  0.0155        1100.24    21.81
TiSi7O17       PCOD3201431 R =  0.0181        1466.62    21.82
TiSi4O11       PCOD3201915 R =  0.0049         458.30    21.82
TiSi10O23      PCOD3203404 R =  0.0156         504.13    21.82
TiSi8O19       PCOD3203130 R =  0.0095         824.90    21.82
TiSiO5         PCOD3203465 R =  0.0165         366.59    21.82
TiSi4O11       PCOD3202479 R =  0.0145         458.21    21.82
TiSi12O27      PCOD3203537 R =  0.0197        2382.23    21.83
TiSi6O15       PCOD3202925 R =  0.0172         962.05    21.83
TiSi6O15       PCOD3202304 R =  0.0180         641.23    21.83
TiSi4O11       PCOD3202119 R =  0.0146         228.97    21.84
TiSi4O11       PCOD3202172 R =  0.0162         457.93    21.84
Ti3Si4O17      PCOD3201498 R =  0.0172         641.03    21.84
TiSi5O13       PCOD3203006 R =  0.0139         549.41    21.84
TiSi4O11       PCOD3202998 R =  0.0128         915.68    21.84
TiSi4O11       PCOD3203070 R =  0.0160         228.88    21.85
TiSi5O13       PCOD3202441 R =  0.0125         549.31    21.85
TiSi2O7        PCOD3202752 R =  0.0084        1098.59    21.85
TiSi6O15       PCOD3201967 R =  0.0069         640.79    21.85
TiSiO5         PCOD3201900 R =  0.0034         366.15    21.85
TiSi4O11       PCOD3202043 R =  0.0072         915.32    21.85
TiSi7O17       PCOD3202789 R =  0.0104        1464.45    21.85
Ti2Si3O12      PCOD3201602 R =  0.0193         915.24    21.85
Ti2Si7O20      PCOD3201233 R =  0.0177        1235.56    21.85
TiSi6O15       PCOD3202136 R =  0.0168         640.55    21.86
Ti2Si13O32     PCOD3203761 R =  0.0183        1372.57    21.86
TiSi2O7        PCOD3202401 R =  0.0120         548.88    21.86
TiSi9O21       PCOD3202949 R =  0.0189         914.70    21.87
TiSi2O7        PCOD3203002 R =  0.0139        1097.64    21.87
Ti4Si5O22      PCOD3203421 R =  0.0177         823.23    21.87
TiSi4O11       PCOD3203304 R =  0.0190        1829.09    21.87
TiSi2O7        PCOD3201692 R =  0.0082         548.71    21.87
TiSi3O9        PCOD3202371 R =  0.0134         365.72    21.87
TiSi2O7        PCOD3203396 R =  0.0174        1097.13    21.88
TiSi2O7        PCOD3201003 R =  0.0100        1096.90    21.88
TiSi2O7        PCOD3201133 R =  0.0137        1096.83    21.88
TiSi6O15       PCOD3202008 R =  0.0085         639.77    21.88
TiSi4O11       PCOD3201572 R =  0.0181        1827.84    21.88
TiSi4O11       PCOD3203654 R =  0.0121         913.79    21.89
TiSi2O7        PCOD3203157 R =  0.0194        1096.14    21.90
Ti2Si5O16      PCOD3201319 R =  0.0190         639.40    21.90
TiSi4O11       PCOD3202548 R =  0.0137         456.57    21.90
TiSiO5         PCOD3202573 R =  0.0156         730.39    21.91
TiSi4O11       PCOD3202774 R =  0.0125         684.68    21.91
TiSiO5         PCOD3201897 R =  0.0031         365.15    21.91
TiSi5O13       PCOD3202993 R =  0.0113        1095.32    21.91
TiSiO5         PCOD3203148 R =  0.0116         730.21    21.91
TiSi7O17       PCOD3203769 R =  0.0195        1460.21    21.91
TiSi5O13       PCOD3201689 R =  0.0159        1095.10    21.92
TiSi6O15       PCOD3201663 R =  0.0138        2554.68    21.92
TiSi5O13       PCOD3203725 R =  0.0141        1094.68    21.92
TiSi4O11       PCOD3201921 R =  0.0053         456.11    21.92
TiSi4O11       PCOD3202533 R =  0.0160         911.93    21.93
TiSi6O15       PCOD3203591 R =  0.0181         638.33    21.93
TiSi2O7        PCOD3202074 R =  0.0165        1094.10    21.94
Ti2Si21O48     PCOD3203644 R =  0.0145        2096.89    21.94
TiSiO5         PCOD3202200 R =  0.0194         729.35    21.94
TiSi12O27      PCOD3203526 R =  0.0198        1185.16    21.94
TiSi4O11       PCOD3202334 R =  0.0188         455.83    21.94
Ti4SiO14       PCOD3203459 R =  0.0178        1823.25    21.94
TiSi2O7        PCOD3201712 R =  0.0156        2187.72    21.94
TiSi9O21       PCOD3203739 R =  0.0099        3645.22    21.95
TiSi3O9        PCOD3202339 R =  0.0134         729.01    21.95
TiSi4O11       PCOD3203040 R =  0.0137         911.21    21.95
TiSi7O17       PCOD3201100 R =  0.0163        1457.78    21.95
TiSi9O21       PCOD3203733 R =  0.0147         911.02    21.95
TiSi2O7        PCOD3203566 R =  0.0112        1093.21    21.95
TiSi4O11       PCOD3201560 R =  0.0105         910.98    21.95
TiSiO5         PCOD3201108 R =  0.0139        1457.47    21.96
Ti2Si5O16      PCOD3202145 R =  0.0177         637.47    21.96
TiSi8O19       PCOD3202769 R =  0.0176        1638.86    21.97
TiSi4O11       PCOD3202458 R =  0.0140         455.22    21.97
Ti2Si9O24      PCOD3201300 R =  0.0166        4005.84    21.97
TiSi2O7        PCOD3203611 R =  0.0130        1092.47    21.97
TiSi10O23      PCOD3202796 R =  0.0105        1001.36    21.97
TiSi4O11       PCOD3202593 R =  0.0140         910.32    21.97
TiSi10O23      PCOD3202316 R =  0.0157        1001.23    21.97
TiSi4O11       PCOD3203202 R =  0.0134         910.19    21.97
TiSi7O17       PCOD3203308 R =  0.0192        1456.17    21.98
TiSi12O27      PCOD3203642 R =  0.0062         591.56    21.98
TiSi12O27      PCOD3203435 R =  0.0137        3549.31    21.98
Ti3Si8O25      PCOD3201198 R =  0.0190        4003.53    21.98
TiSi8O19       PCOD3201067 R =  0.0156        1637.66    21.98
TiSi5O13       PCOD3201376 R =  0.0160        1091.54    21.99
TiSi4O11       PCOD3201938 R =  0.0054         909.60    21.99
TiSi2O7        PCOD3202641 R =  0.0120         545.73    21.99
TiSi12O27      PCOD3201263 R =  0.0120        1182.22    21.99
TiSi4O11       PCOD3201025 R =  0.0187        3637.40    21.99
TiSi6O15       PCOD3201381 R =  0.0173        1273.02    21.99
TiSiO5         PCOD3201918 R =  0.0037         727.26    22.00
TiSi14O31      PCOD3201288 R =  0.0144        2727.06    22.00
TiSi4O11       PCOD3201680 R =  0.0154         909.00    22.00
TiSi2O7        PCOD3201424 R =  0.0090         545.35    22.00
TiSiO5         PCOD3202804 R =  0.0128         727.07    22.01
Ti2Si5O16      PCOD3203489 R =  0.0128        1272.32    22.01
TiSi2O7        PCOD3202517 R =  0.0164        2180.53    22.01
Ti2Si3O12      PCOD3201458 R =  0.0175        3634.03    22.01
TiSiO5         PCOD3201937 R =  0.0054         726.77    22.02
TiSi3O9        PCOD3202918 R =  0.0195        2905.55    22.03
TiSi3O9        PCOD3202180 R =  0.0187         363.19    22.03
Ti2Si9O24      PCOD3201301 R =  0.0129        3994.90    22.03
TiSi3O9        PCOD3202637 R =  0.0139        1452.41    22.03
TiSiO5         PCOD3203274 R =  0.0114         362.97    22.04
TiSi4O11       PCOD3203071 R =  0.0080         226.85    22.04
TiSiO5         PCOD3202860 R =  0.0160         725.91    22.04
TiSiO5         PCOD3203140 R =  0.0122         725.89    22.04
TiSi5O13       PCOD3202185 R =  0.0169        1088.56    22.05
Ti4Si5O22      PCOD3201209 R =  0.0081         816.29    22.05
Ti2Si5O16      PCOD3203384 R =  0.0199        1269.44    22.06
TiSi6O15       PCOD3202390 R =  0.0127         634.68    22.06
TiSi5O13       PCOD3203059 R =  0.0179        1087.41    22.07
Ti2Si15O36     PCOD3201853 R =  0.0197        1540.46    22.07
TiSi4O11       PCOD3201787 R =  0.0172         906.15    22.07
TiSi3O9        PCOD3203353 R =  0.0196        2899.66    22.07
Ti3Si2O13      PCOD3201502 R =  0.0190         453.04    22.07
TiSi4O11       PCOD3202550 R =  0.0169         906.06    22.07
TiSiO5         PCOD3202353 R =  0.0136         724.79    22.08
TiSi6O15       PCOD3201353 R =  0.0152        2536.74    22.08
TiSi6O15       PCOD3201820 R =  0.0096        1268.30    22.08
TiSiO5         PCOD3202576 R =  0.0146         362.30    22.08
TiSi4O11       PCOD3201533 R =  0.0141         452.86    22.08
TiSi6O15       PCOD3202943 R =  0.0194        1267.93    22.08
TiSi4O11       PCOD3201561 R =  0.0171         905.34    22.09
TiSi5O13       PCOD3201530 R =  0.0136        1086.33    22.09
TiSi5O13       PCOD3203365 R =  0.0109        1086.30    22.09
TiSi6O15       PCOD3202345 R =  0.0168         633.66    22.09
TiSi6O15       PCOD3203455 R =  0.0077        1267.29    22.09
Ti3Si4O17      PCOD3201206 R =  0.0175         633.62    22.10
TiSi4O11       PCOD3202972 R =  0.0185         905.06    22.10
TiSi4O11       PCOD3202906 R =  0.0193         905.00    22.10
TiSi5O13       PCOD3201346 R =  0.0115        1085.94    22.10
Ti2Si3O12      PCOD3203337 R =  0.0119         452.43    22.10
TiSiO5         PCOD3203255 R =  0.0090         723.78    22.11
TiSi4O11       PCOD3201587 R =  0.0179         452.26    22.11
TiSi2O7        PCOD3201567 R =  0.0081        1085.38    22.11
TiSi6O15       PCOD3202952 R =  0.0194         633.13    22.11
TiSi10O23      PCOD3201648 R =  0.0142        1989.81    22.11
Ti2Si9O24      PCOD3203670 R =  0.0197        3979.54    22.11
Ti2Si5O16      PCOD3201580 R =  0.0108         633.10    22.11
TiSi9O21       PCOD3203020 R =  0.0136         904.39    22.11
Ti3Si5O19      PCOD3202875 R =  0.0196         723.43    22.12
TiSi4O11       PCOD3202376 R =  0.0121         452.12    22.12
TiSi5O13       PCOD3202449 R =  0.0166        1084.84    22.12
TiSi2O7        PCOD3202280 R =  0.0100         542.41    22.12
TiSi2O7        PCOD3202682 R =  0.0090         542.35    22.13
TiSi4O11       PCOD3201979 R =  0.0084         451.93    22.13
TiSi3O9        PCOD3202127 R =  0.0115         361.52    22.13
Ti3Si8O25      PCOD3201016 R =  0.0078        1988.20    22.13
TiSiO5         PCOD3203366 R =  0.0197         722.90    22.13
TiSi7O17       PCOD3202890 R =  0.0104        1445.74    22.13
Ti2Si5O16      PCOD3202382 R =  0.0173         632.44    22.14
TiSi4O11       PCOD3201603 R =  0.0150         903.32    22.14
TiSi4O11       PCOD3201917 R =  0.0051         451.38    22.15
TiSi6O15       PCOD3203299 R =  0.0147        1263.60    22.16
TiSi6O15       PCOD3202983 R =  0.0120        1263.51    22.16
TiSi2O7        PCOD3202472 R =  0.0191         541.43    22.16
TiSiO5         PCOD3202428 R =  0.0158         721.87    22.16
Ti2Si3O12      PCOD3202674 R =  0.0118         451.06    22.17
TiSi10O23      PCOD3201960 R =  0.0063         992.27    22.17
TiSi2O7        PCOD3202056 R =  0.0101         541.16    22.17
TiSi3O9        PCOD3203560 R =  0.0174         721.52    22.18
TiSi6O15       PCOD3203516 R =  0.0042         946.84    22.18
TiSi14O31      PCOD3203310 R =  0.0156         676.10    22.19
TiSi3O9        PCOD3201429 R =  0.0144         721.02    22.19
Ti2Si9O24      PCOD3202777 R =  0.0164        1486.78    22.20
TiSiO5         PCOD3201335 R =  0.0117         720.77    22.20
TiSi9O21       PCOD3203596 R =  0.0091        3603.34    22.20
Ti4Si21O54     PCOD3203649 R =  0.0190        2251.44    22.21
TiSiO5         PCOD3201021 R =  0.0137        1440.88    22.21
TiSi5O13       PCOD3202110 R =  0.0117         270.15    22.21
TiSi3O9        PCOD3203745 R =  0.0174         720.26    22.21
Ti2Si5O16      PCOD3201547 R =  0.0110         630.14    22.22
TiSi4O11       PCOD3202205 R =  0.0114         900.19    22.22
TiSi4O11       PCOD3201908 R =  0.0047         900.18    22.22
TiSiO5         PCOD3202587 R =  0.0126         720.13    22.22
TiSi4O11       PCOD3202370 R =  0.0134         450.08    22.22
Ti3Si8O25      PCOD3203105 R =  0.0158         990.11    22.22
TiSi12O27      PCOD3203527 R =  0.0107        1170.03    22.22
TiSi5O13       PCOD3201470 R =  0.0091         539.98    22.22
TiSiO5         PCOD3203636 R =  0.0174         719.97    22.22
Ti2Si5O16      PCOD3201031 R =  0.0180        1889.79    22.22
TiSi2O7        PCOD3201052 R =  0.0197        1619.76    22.23
Ti2Si9O24      PCOD3203775 R =  0.0196         494.89    22.23
TiSi3O9        PCOD3202490 R =  0.0176         719.84    22.23
TiSiO5         PCOD3201761 R =  0.0127         719.78    22.23
TiSi10O23      PCOD3202854 R =  0.0095         989.69    22.23
TiSiO5         PCOD3203341 R =  0.0113         719.61    22.23
TiSi7O17       PCOD3203144 R =  0.0158         719.10    22.25
TiSi7O17       PCOD3201763 R =  0.0135        1438.08    22.25
TiSi9O21       PCOD3203276 R =  0.0194         898.65    22.26
Ti2Si5O16      PCOD3201063 R =  0.0167        1257.97    22.26
TiSi10O23      PCOD3201341 R =  0.0182         987.97    22.27
TiSi10O23      PCOD3202084 R =  0.0160         493.91    22.27
TiSi3O9        PCOD3202210 R =  0.0170         718.35    22.27
TiSi6O15       PCOD3201766 R =  0.0130        1257.07    22.27
TiSi2O7        PCOD3201949 R =  0.0061        1077.42    22.28
Ti4Si3O18      PCOD3202822 R =  0.0185         628.27    22.28
TiSi6O15       PCOD3202309 R =  0.0172         628.26    22.28
Ti2Si9O24      PCOD3202419 R =  0.0187         987.26    22.28
Ti2SiO8        PCOD3201867 R =  0.0188        2153.55    22.29
TiSi3O9        PCOD3203375 R =  0.0108        1435.40    22.29
TiSi2O7        PCOD3201713 R =  0.0095        1076.41    22.30
TiSi4O11       PCOD3201525 R =  0.0077         896.92    22.30
TiSiO5         PCOD3203652 R =  0.0117         358.76    22.30
TiSi3O9        PCOD3201071 R =  0.0126        1434.98    22.30
TiSi2O7        PCOD3202045 R =  0.0091         538.05    22.30
TiSi8O19       PCOD3201804 R =  0.0166         806.89    22.31
TiSi6O15       PCOD3202750 R =  0.0178         313.71    22.31
Ti4Si9O30      PCOD3203370 R =  0.0185        1165.13    22.32
TiSi6O15       PCOD3201656 R =  0.0195         627.36    22.32
TiSi2O7        PCOD3202820 R =  0.0191         806.40    22.32
Ti2Si7O20      PCOD3202417 R =  0.0163         806.14    22.33
TiSi3O9        PCOD3202569 R =  0.0143         716.33    22.34
TiSi5O13       PCOD3203794 R =  0.0193        2148.53    22.34
TiSi2O7        PCOD3203480 R =  0.0184         805.65    22.34
TiSi3O9        PCOD3202590 R =  0.0144         716.09    22.34
TiSi4O11       PCOD3201566 R =  0.0156        1790.16    22.34
TiSi4O11       PCOD3201999 R =  0.0077         895.06    22.34
TiSi3O9        PCOD3201700 R =  0.0174         715.76    22.35
TiSi3O9        PCOD3203156 R =  0.0197        1431.50    22.35
TiSi2O7        PCOD3201258 R =  0.0114        1610.25    22.36
Ti3SiO11       PCOD3203723 R =  0.0190         357.81    22.36
Ti4Si3O18      PCOD3203237 R =  0.0160         626.15    22.36
TiSiO5         PCOD3203732 R =  0.0165         357.72    22.36
TiSi4O11       PCOD3201432 R =  0.0084         894.23    22.37
TiSi10O23      PCOD3201936 R =  0.0054         983.60    22.37
TiSi3O9        PCOD3201079 R =  0.0151        1072.87    22.37
Ti2Si9O24      PCOD3203801 R =  0.0132         491.69    22.37
Ti2Si3O12      PCOD3201208 R =  0.0194         670.47    22.37
TiSi2O7        PCOD3201539 R =  0.0176         804.54    22.37
TiSi6O15       PCOD3201605 R =  0.0192        1251.49    22.37
TiSi2O7        PCOD3203552 R =  0.0108        1072.36    22.38
TiSi6O15       PCOD3201668 R =  0.0196        1250.99    22.38
TiSi8O19       PCOD3202290 R =  0.0177         804.10    22.39
TiSi3O9        PCOD3201532 R =  0.0197         357.37    22.39
TiSi12O27      PCOD3201254 R =  0.0168        1161.42    22.39
TiSi2O7        PCOD3203419 R =  0.0147         535.95    22.39
TiSi4O11       PCOD3203635 R =  0.0151         893.22    22.39
TiSi4O11       PCOD3202761 R =  0.0099        1786.25    22.39
TiSiO5         PCOD3202839 R =  0.0151         357.24    22.39
Ti3Si8O25      PCOD3202779 R =  0.0115         982.38    22.39
TiSi3O9        PCOD3201501 R =  0.0199         714.40    22.40
Ti2SiO8        PCOD3202134 R =  0.0197         267.88    22.40
TiSi3O9        PCOD3202122 R =  0.0117         357.10    22.40
TiSi4O11       PCOD3203498 R =  0.0192         892.72    22.40
TiSi5O13       PCOD3201939 R =  0.0062        1071.18    22.41
TiSi4O11       PCOD3203195 R =  0.0166         892.43    22.41
TiSi5O13       PCOD3202817 R =  0.0194         802.79    22.42
TiSi4O11       PCOD3202527 R =  0.0192         891.78    22.43
TiSiO5         PCOD3202603 R =  0.0169         713.35    22.43
Ti5Si2O19      PCOD3202253 R =  0.0180         624.07    22.43
Ti3Si2O13      PCOD3203492 R =  0.0062         891.52    22.43
TiSi3O9        PCOD3203424 R =  0.0120        1426.37    22.43
Ti2Si9O24      PCOD3201224 R =  0.0191        1961.06    22.44
TiSi3O9        PCOD3201217 R =  0.0180        1426.07    22.44
TiSi10O23      PCOD3201807 R =  0.0190        1960.72    22.44
TiSi3O9        PCOD3201699 R =  0.0139         712.85    22.45
TiSi6O15       PCOD3202798 R =  0.0161        1246.94    22.45
TiSi6O15       PCOD3202246 R =  0.0136         623.47    22.45
TiSi2O7        PCOD3202485 R =  0.0188         534.32    22.46
TiSi2O7        PCOD3203662 R =  0.0101        1068.46    22.46
TiSi3O9        PCOD3202832 R =  0.0174         712.09    22.47
Ti3Si4O17      PCOD3202793 R =  0.0147         623.01    22.47
Ti3Si4O17      PCOD3203606 R =  0.0133         622.91    22.48
TiSi6O15       PCOD3201864 R =  0.0117        2491.52    22.48
TiSi4O11       PCOD3202904 R =  0.0126         889.62    22.48
TiSiO5         PCOD3202648 R =  0.0159         711.49    22.49
Ti8Si5O34      PCOD3202702 R =  0.0190        1155.84    22.49
TiSi4O11       PCOD3201522 R =  0.0115         889.07    22.50
TiSi2O7        PCOD3201337 R =  0.0131         533.41    22.50
Ti4Si35O82     PCOD3203035 R =  0.0181        3466.72    22.50
Ti5Si2O19      PCOD3203767 R =  0.0162         311.05    22.50
Ti2Si9O24      PCOD3202675 R =  0.0147         488.76    22.51
TiSi4O11       PCOD3201604 R =  0.0165         888.61    22.51
TiSi6O15       PCOD3203264 R =  0.0137         932.66    22.52
TiSi6O15       PCOD3201260 R =  0.0166        1243.52    22.52
Ti4Si9O30      PCOD3203749 R =  0.0193        1154.44    22.52
Ti2Si7O20      PCOD3203423 R =  0.0185        1598.17    22.53
TiSi2O7        PCOD3201756 R =  0.0156        1065.39    22.53
TiSi6O15       PCOD3203191 R =  0.0183        1242.95    22.53
TiSi6O15       PCOD3202684 R =  0.0126        1242.89    22.53
TiSi3O9        PCOD3202394 R =  0.0173         710.17    22.53
TiSi6O15       PCOD3202923 R =  0.0107        1863.70    22.54
Ti2Si5O16      PCOD3203252 R =  0.0085        1242.29    22.54
TiSi4O11       PCOD3202606 R =  0.0136         887.09    22.55
TiSi6O15       PCOD3201727 R =  0.0130        1241.72    22.55
Ti2Si5O16      PCOD3202747 R =  0.0096         620.77    22.55
Ti4Si5O22      PCOD3203132 R =  0.0199         798.11    22.55
TiSi6O15       PCOD3202707 R =  0.0169         620.74    22.55
TiSi2O7        PCOD3202208 R =  0.0121         532.01    22.56
TiSi3O9        PCOD3202182 R =  0.0131         354.65    22.56
TiSi6O15       PCOD3202884 R =  0.0160         620.59    22.56
TiSi8O19       PCOD3201475 R =  0.0090         797.72    22.56
Ti2Si3O12      PCOD3203351 R =  0.0142        1772.54    22.57
TiSi4O11       PCOD3203262 R =  0.0090         664.69    22.57
TiSi4O11       PCOD3202571 R =  0.0132         886.23    22.57
TiSi6O15       PCOD3201903 R =  0.0035        1240.65    22.57
TiSi8O19       PCOD3201438 R =  0.0135        1595.02    22.57
TiSiO5         PCOD3202596 R =  0.0179         708.89    22.57
TiSi4O11       PCOD3202870 R =  0.0191         886.09    22.57
TiSi3O9        PCOD3201964 R =  0.0073         708.79    22.57
TiSi3O9        PCOD3203688 R =  0.0168        1417.04    22.58
Ti3Si2O13      PCOD3202283 R =  0.0157         442.59    22.59
TiSi2O7        PCOD3202359 R =  0.0104         531.09    22.60
TiSiO5         PCOD3203013 R =  0.0143         707.96    22.60
TiSi4O11       PCOD3203128 R =  0.0191         884.94    22.60
TiSi2O7        PCOD3203573 R =  0.0114         796.36    22.60
TiSi4O11       PCOD3201143 R =  0.0176        1769.63    22.60
TiSi5O13       PCOD3203550 R =  0.0181        1061.46    22.61
TiSi4O11       PCOD3203271 R =  0.0080         884.49    22.61
TiSi8O19       PCOD3202306 R =  0.0149         795.94    22.61
TiSi6O15       PCOD3203525 R =  0.0136         928.56    22.62
TiSi15O33      PCOD3203672 R =  0.0174         707.19    22.62
TiSi3O9        PCOD3201202 R =  0.0199         707.18    22.63
Ti2Si3O12      PCOD3202710 R =  0.0108        1325.96    22.63
TiSi2O7        PCOD3202005 R =  0.0087         530.37    22.63
TiSi3O9        PCOD3202455 R =  0.0106         353.58    22.63
TiSi3O9        PCOD3203648 R =  0.0070        2828.63    22.63
TiSi3O9        PCOD3203752 R =  0.0064        2828.56    22.63
TiSi3O9        PCOD3202175 R =  0.0115         353.49    22.63
TiSiO5         PCOD3202633 R =  0.0122         706.95    22.63
Ti5Si4O23      PCOD3201171 R =  0.0191         397.63    22.63
Ti2Si9O24      PCOD3202945 R =  0.0092        1457.96    22.63
TiSiO5         PCOD3202534 R =  0.0196         706.88    22.63
TiSi6O15       PCOD3203495 R =  0.0166        2473.69    22.64
TiSi3O9        PCOD3202107 R =  0.0153         176.68    22.64
Ti3SiO11       PCOD3201856 R =  0.0146         706.71    22.64
TiSi6O15       PCOD3202989 R =  0.0196        1236.42    22.65
TiSi4O11       PCOD3202094 R =  0.0177         883.05    22.65
Ti2Si9O24      PCOD3203497 R =  0.0195         971.31    22.65
TiSi5O13       PCOD3201484 R =  0.0143         529.80    22.65
TiSi5O13       PCOD3201228 R =  0.0151        1059.60    22.65
TiSiO5         PCOD3202347 R =  0.0134         706.37    22.65
TiSi3O9        PCOD3201748 R =  0.0156         706.28    22.65
TiSi5O13       PCOD3203179 R =  0.0189        1058.93    22.66
TiSi4O11       PCOD3201687 R =  0.0191         882.43    22.66
TiSiO5         PCOD3201345 R =  0.0132         176.44    22.67
TiSi4O11       PCOD3203343 R =  0.0155         441.07    22.67
Ti2Si5O16      PCOD3202699 R =  0.0171        1234.76    22.68
TiSi3O9        PCOD3202930 R =  0.0134         705.56    22.68
TiSi4O11       PCOD3202130 R =  0.0101         440.96    22.68
TiSi2O7        PCOD3202400 R =  0.0177         529.14    22.68
TiSi6O15       PCOD3202329 R =  0.0122         617.27    22.68
TiSi2O7        PCOD3201855 R =  0.0179        1058.12    22.68
TiSi6O15       PCOD3202653 R =  0.0150        1234.34    22.68
Ti2SiO8        PCOD3202411 R =  0.0197         528.97    22.69
TiSiO5         PCOD3203543 R =  0.0091         705.17    22.69
Ti2Si5O16      PCOD3202498 R =  0.0162        1233.77    22.69
TiSi4O11       PCOD3202179 R =  0.0191         440.62    22.70
TiSi4O11       PCOD3202739 R =  0.0177         880.87    22.70
Ti3Si10O29     PCOD3202607 R =  0.0145        1144.93    22.71
Ti2Si5O16      PCOD3203719 R =  0.0197        1232.63    22.72
TiSi3O9        PCOD3202850 R =  0.0199         704.34    22.72
Ti2Si5O16      PCOD3202636 R =  0.0164        1232.54    22.72
Ti2Si3O12      PCOD3202442 R =  0.0105         440.17    22.72
TiSi3O9        PCOD3201050 R =  0.0151        1408.47    22.72
TiSi7O17       PCOD3201879 R =  0.0196        2816.60    22.72
Ti3Si2O13      PCOD3201271 R =  0.0180         440.09    22.72
TiSi8O19       PCOD3203235 R =  0.0118         792.14    22.72
TiSi4O11       PCOD3202651 R =  0.0136         880.07    22.73
TiSi3O9        PCOD3202106 R =  0.0112         176.01    22.73
Ti2SiO8        PCOD3201384 R =  0.0195         527.97    22.73
Ti3Si4O17      PCOD3201632 R =  0.0176        1231.85    22.73
TiSi6O15       PCOD3202487 R =  0.0162        1231.70    22.73
Ti2Si9O24      PCOD3201092 R =  0.0198         967.67    22.74
Ti2Si3O12      PCOD3203253 R =  0.0190        1759.15    22.74
Ti4SiO14       PCOD3201548 R =  0.0152         439.78    22.74
TiSi6O15       PCOD3202379 R =  0.0096         615.63    22.74
TiSi4O11       PCOD3202198 R =  0.0174         878.98    22.75
Ti2Si3O12      PCOD3202264 R =  0.0175         439.45    22.76
TiSi6O15       PCOD3201588 R =  0.0085         615.17    22.76
TiSi6O15       PCOD3202342 R =  0.0107         615.15    22.76
TiSi5O13       PCOD3202879 R =  0.0055        1054.52    22.76
TiSi3O9        PCOD3202801 R =  0.0090         702.93    22.76
Ti2SiO8        PCOD3202006 R =  0.0085         527.19    22.76
Ti2Si3O12      PCOD3201120 R =  0.0199         439.25    22.77
TiSi6O15       PCOD3201374 R =  0.0148         614.79    22.77
Ti3Si2O13      PCOD3202823 R =  0.0119         219.43    22.79
TiSi4O11       PCOD3201568 R =  0.0137        1755.31    22.79
Ti2Si3O12      PCOD3201339 R =  0.0182         877.57    22.79
Ti3Si2O13      PCOD3201161 R =  0.0118         219.35    22.79
TiSi9O21       PCOD3203720 R =  0.0181         438.67    22.80
TiSi4O11       PCOD3201788 R =  0.0147         877.33    22.80
TiSi6O15       PCOD3203668 R =  0.0116        1228.23    22.80
Ti2Si9O24      PCOD3202809 R =  0.0185        1929.48    22.80
TiSiO5         PCOD3201420 R =  0.0180         350.77    22.81
Ti2Si3O12      PCOD3203653 R =  0.0177         876.86    22.81
Ti2Si3O12      PCOD3202826 R =  0.0177         876.82    22.81
TiSi4O11       PCOD3201330 R =  0.0185         438.38    22.81
TiSiO5         PCOD3202562 R =  0.0132         350.65    22.81
TiSi10O23      PCOD3201640 R =  0.0176        1928.39    22.82
TiSi5O13       PCOD3202776 R =  0.0127        1051.52    22.82
TiSi2O7        PCOD3203430 R =  0.0173        1051.44    22.83
Ti2Si5O16      PCOD3201859 R =  0.0146        1226.40    22.83
TiSi3O9        PCOD3203238 R =  0.0173         350.30    22.84
Ti4Si9O30      PCOD3201200 R =  0.0131        1138.40    22.84
Ti5Si8O31      PCOD3201870 R =  0.0156        4553.13    22.84
Ti2Si5O16      PCOD3201121 R =  0.0179         612.91    22.84
Ti2Si9O24      PCOD3201223 R =  0.0116        1925.85    22.85
Ti2Si3O12      PCOD3201625 R =  0.0142         875.35    22.85
Ti2Si3O12      PCOD3202386 R =  0.0141         437.57    22.85
TiSi9O21       PCOD3203698 R =  0.0186        1750.13    22.86
TiSi3O9        PCOD3202133 R =  0.0161         350.02    22.86
TiSi7O17       PCOD3202541 R =  0.0134         700.01    22.86
TiSi2O7        PCOD3202027 R =  0.0090         524.92    22.86
TiSi4O11       PCOD3201971 R =  0.0073         437.39    22.86
TiSi7O17       PCOD3202836 R =  0.0185        1399.37    22.87
TiSi3O9        PCOD3202944 R =  0.0110         524.72    22.87
TiSi10O23      PCOD3203068 R =  0.0145        1923.86    22.87
TiSi3O9        PCOD3201606 R =  0.0137        1398.91    22.87
TiSi6O15       PCOD3202318 R =  0.0103         612.00    22.88
TiSi8O19       PCOD3201565 R =  0.0165         786.85    22.88
Ti3Si4O17      PCOD3201695 R =  0.0174         611.97    22.88
TiSi6O15       PCOD3202140 R =  0.0172         611.91    22.88
TiSi3O9        PCOD3202178 R =  0.0165         349.65    22.88
Ti2SiO8        PCOD3201882 R =  0.0172         524.45    22.88
TiSi9O21       PCOD3203572 R =  0.0140         874.01    22.88
Ti2Si13O32     PCOD3203303 R =  0.0187        2621.98    22.88
TiSi8O19       PCOD3202811 R =  0.0197        1573.04    22.89
TiSi2O7        PCOD3202348 R =  0.0068         524.18    22.89
TiSi2O7        PCOD3203212 R =  0.0194        1572.24    22.90
TiSi10O23      PCOD3202326 R =  0.0137         960.59    22.90
TiSi9O21       PCOD3203322 R =  0.0185         873.19    22.90
TiSi4O11       PCOD3202019 R =  0.0084         872.95    22.91
TiSi2O7        PCOD3201709 R =  0.0188        1047.39    22.91
TiSi2O7        PCOD3203280 R =  0.0156        1047.25    22.92
Ti2Si15O36     PCOD3201860 R =  0.0191        2966.82    22.92
TiSi12O27      PCOD3201183 R =  0.0128        3402.93    22.92
TiSi8O19       PCOD3202766 R =  0.0192         785.26    22.92
Ti2Si3O12      PCOD3202258 R =  0.0174         436.22    22.92
TiSi2O7        PCOD3202335 R =  0.0194         523.21    22.94
Ti3Si10O29     PCOD3201445 R =  0.0152        2267.05    22.94
TiSi6O15       PCOD3202495 R =  0.0148         610.26    22.94
TiSi2O7        PCOD3202716 R =  0.0180         784.60    22.94
TiSi12O27      PCOD3203164 R =  0.0151         566.62    22.94
TiSi18O39      PCOD3203706 R =  0.0192        1655.88    22.95
TiSi12O27      PCOD3201035 R =  0.0179        1132.75    22.95
Ti2SiO8        PCOD3202810 R =  0.0194        1045.44    22.96
TiSi2O7        PCOD3202483 R =  0.0129         522.62    22.96
TiSiO5         PCOD3201403 R =  0.0181         696.67    22.97
TiSi4O11       PCOD3202219 R =  0.0198         870.60    22.97
Ti3Si20O49     PCOD3203620 R =  0.0086        2002.01    22.98
TiSi2O7        PCOD3202732 R =  0.0194        1044.28    22.98
Ti2SiO8        PCOD3203506 R =  0.0186         261.05    22.98
TiSiO5         PCOD3203514 R =  0.0159         521.97    22.99
Ti3Si4O17      PCOD3202319 R =  0.0135         608.95    22.99
TiSiO5         PCOD3201782 R =  0.0195         695.88    22.99
TiSi8O19       PCOD3201541 R =  0.0166         782.79    22.99
Ti2Si5O16      PCOD3201060 R =  0.0080         608.71    23.00
TiSiO5         PCOD3201874 R =  0.0153        2782.11    23.00
TiSi2O7        PCOD3202722 R =  0.0176         521.59    23.01
TiSi4O11       PCOD3201461 R =  0.0165         869.03    23.01
TiSi4O11       PCOD3202492 R =  0.0146         434.47    23.02
TiSiO5         PCOD3201759 R =  0.0198         695.10    23.02
TiSiO5         PCOD3201160 R =  0.0199         347.55    23.02
Ti2Si3O12      PCOD3201769 R =  0.0146         868.83    23.02
TiSiO5         PCOD3203744 R =  0.0158         347.50    23.02
Ti4Si17O46     PCOD3203505 R =  0.0149        1824.33    23.02
TiSi4O11       PCOD3203123 R =  0.0198        1737.44    23.02
TiSi5O13       PCOD3202373 R =  0.0167         521.21    23.02
TiSi6O15       PCOD3202980 R =  0.0101         607.95    23.03
TiSi6O15       PCOD3201646 R =  0.0135        1215.61    23.03
TiSi2O7        PCOD3201313 R =  0.0198        1562.43    23.04
TiSi4O11       PCOD3202459 R =  0.0097         867.93    23.04
TiSi4O11       PCOD3203665 R =  0.0123         867.79    23.05
Ti2Si5O16      PCOD3202580 R =  0.0196         607.34    23.05
TiSi5O13       PCOD3203330 R =  0.0121         520.48    23.06
TiSi2O7        PCOD3201872 R =  0.0084        2081.88    23.06
TiSi3O9        PCOD3203411 R =  0.0178         693.77    23.06
Ti2SiO8        PCOD3203057 R =  0.0136        1040.53    23.07
TiSi2O7        PCOD3203318 R =  0.0112         260.13    23.07
TiSi12O27      PCOD3202423 R =  0.0174        1127.16    23.07
TiSi3O9        PCOD3201280 R =  0.0127        5549.04    23.07
TiSi11O25      PCOD3201089 R =  0.0093        8322.57    23.07
TiSi6O15       PCOD3201372 R =  0.0142         606.73    23.07
TiSiO5         PCOD3203115 R =  0.0180         346.63    23.08
TiSi4O11       PCOD3201531 R =  0.0182        1733.11    23.08
TiSi3O9        PCOD3201688 R =  0.0187         693.22    23.08
TiSi3O9        PCOD3202711 R =  0.0129         519.89    23.08
TiSi12O27      PCOD3201363 R =  0.0189        2252.21    23.09
TiSi3O9        PCOD3202714 R =  0.0164         346.49    23.09
TiSi6O15       PCOD3203364 R =  0.0169         606.35    23.09
TiSi3O9        PCOD3201703 R =  0.0164         692.55    23.10
Ti4Si5O22      PCOD3202934 R =  0.0180         779.04    23.11
TiSi6O15       PCOD3203680 R =  0.0195        1211.50    23.11
TiSi3O9        PCOD3203705 R =  0.0097        1038.42    23.11
Ti3Si8O25      PCOD3203023 R =  0.0127         951.59    23.12
TiSi6O15       PCOD3203380 R =  0.0188         605.39    23.13
TiSi4O11       PCOD3203163 R =  0.0091         432.36    23.13
Ti2Si5O16      PCOD3201583 R =  0.0128         605.21    23.13
TiSi2O7        PCOD3203690 R =  0.0147        1037.31    23.14
TiSi3O9        PCOD3202910 R =  0.0125         691.54    23.14
TiSi6O15       PCOD3203439 R =  0.0179        1210.10    23.14
TiSi3O9        PCOD3201387 R =  0.0178         691.48    23.14
Ti3Si4O17      PCOD3203501 R =  0.0181        2418.93    23.15
Ti2Si3O12      PCOD3203315 R =  0.0162         647.86    23.15
TiSi6O15       PCOD3202254 R =  0.0101         604.56    23.16
TiSi9O21       PCOD3201250 R =  0.0107         863.42    23.16
Ti2Si5O16      PCOD3203114 R =  0.0199         604.11    23.17
TiSi6O15       PCOD3201283 R =  0.0153        4832.40    23.18
TiSi3O9        PCOD3202489 R =  0.0190         690.33    23.18
TiSi10O23      PCOD3202999 R =  0.0194         474.56    23.18
TiSi6O15       PCOD3202905 R =  0.0118         603.71    23.19
TiSi8O19       PCOD3203782 R =  0.0196        2328.54    23.19
TiSi6O15       PCOD3202616 R =  0.0181        1207.21    23.19
TiSi3O9        PCOD3203033 R =  0.0146         689.81    23.19
Ti4Si9O30      PCOD3202064 R =  0.0178         560.38    23.20
TiSi4O11       PCOD3202291 R =  0.0123         861.97    23.20
TiSi2O7        PCOD3203319 R =  0.0163        2327.26    23.20
TiSi7O17       PCOD3203220 R =  0.0198         689.35    23.21
TiSi14O31      PCOD3203038 R =  0.0130        2583.71    23.22
TiSiO5         PCOD3201459 R =  0.0144        2755.88    23.22
TiSi4O11       PCOD3203129 R =  0.0179         430.60    23.22
TiSi4O11       PCOD3201265 R =  0.0188        1291.61    23.23
Ti2Si5O16      PCOD3201437 R =  0.0200        1205.50    23.23
TiSi30O63      PCOD3203700 R =  0.0129        1334.65    23.23
Ti4Si7O26      PCOD3203759 R =  0.0128        1894.11    23.23
TiSi2O7        PCOD3202516 R =  0.0121        1033.10    23.23
TiSi4O11       PCOD3202002 R =  0.0082         430.20    23.25
TiSi4O11       PCOD3202965 R =  0.0113         860.32    23.25
TiSi2O7        PCOD3201823 R =  0.0188         516.19    23.25
TiSi5O13       PCOD3202984 R =  0.0169        1032.26    23.25
TiSi3O9        PCOD3202868 R =  0.0140         688.12    23.25
TiSi7O17       PCOD3202255 R =  0.0111        1375.99    23.26
TiSi3O9        PCOD3201651 R =  0.0090        1375.59    23.26
TiSi2O7        PCOD3201343 R =  0.0147         773.74    23.26
TiSi4O11       PCOD3202377 R =  0.0128         429.75    23.27
Ti2Si7O20      PCOD3201652 R =  0.0198        1547.10    23.27
TiSi4O11       PCOD3202177 R =  0.0165         429.74    23.27
TiSi2O7        PCOD3202156 R =  0.0162         515.68    23.27
TiSi8O19       PCOD3201776 R =  0.0109        1546.51    23.28
TiSi6O15       PCOD3202169 R =  0.0176         601.31    23.28
TiSi4O11       PCOD3201396 R =  0.0089         858.97    23.28
TiSi2O7        PCOD3202150 R =  0.0158         515.38    23.28
TiSi2O7        PCOD3202669 R =  0.0154         515.35    23.29
TiSiO5         PCOD3203360 R =  0.0160         687.08    23.29
TiSi2O7        PCOD3202066 R =  0.0155         515.29    23.29
TiSi3O9        PCOD3202464 R =  0.0175         687.04    23.29
Ti2Si5O16      PCOD3203461 R =  0.0186        1202.17    23.29
TiSi2O7        PCOD3202403 R =  0.0124         515.12    23.30
TiSi4O11       PCOD3202852 R =  0.0165         858.52    23.30
TiSi3O9        PCOD3202366 R =  0.0169         343.39    23.30
TiSiO5         PCOD3202336 R =  0.0111         343.37    23.30
TiSi4O11       PCOD3201220 R =  0.0071        1716.73    23.30
TiSi6O15       PCOD3202494 R =  0.0178         600.66    23.31
TiSi2O7        PCOD3202193 R =  0.0172         514.77    23.31
TiSi5O13       PCOD3202938 R =  0.0158         514.60    23.32
TiSi6O15       PCOD3202088 R =  0.0186        1801.05    23.32
TiSi3O9        PCOD3201048 R =  0.0156        2058.00    23.32
Ti2SiO8        PCOD3201589 R =  0.0188         257.25    23.32
TiSiO5         PCOD3201382 R =  0.0179         685.92    23.33
TiSi2O7        PCOD3202125 R =  0.0114         257.21    23.33
TiSi6O15       PCOD3203174 R =  0.0185        1199.60    23.34
TiSi8O19       PCOD3202480 R =  0.0167         770.96    23.35
TiSi6O15       PCOD3203452 R =  0.0151        1199.22    23.35
Ti2Si7O20      PCOD3202522 R =  0.0143         770.75    23.35
TiSi4O11       PCOD3202203 R =  0.0121         856.23    23.36
TiSi6O15       PCOD3201005 R =  0.0063         599.29    23.36
Ti2Si3O12      PCOD3202374 R =  0.0185         428.02    23.36
TiSi12O27      PCOD3203613 R =  0.0171        2225.65    23.36
TiSi2O7        PCOD3202744 R =  0.0170        1027.22    23.36
TiSi3O9        PCOD3202399 R =  0.0178         684.74    23.37
TiSi7O17       PCOD3203139 R =  0.0178        2738.83    23.37
TiSi2O7        PCOD3202935 R =  0.0129        1026.63    23.38
TiSi4O11       PCOD3203146 R =  0.0171         855.51    23.38
Ti2SiO8        PCOD3202421 R =  0.0171         256.65    23.38
TiSi9O21       PCOD3201800 R =  0.0179         855.40    23.38
TiSi3O9        PCOD3202196 R =  0.0188         684.29    23.38
TiSi12O27      PCOD3202954 R =  0.0179        1111.86    23.38
TiSiO5         PCOD3202069 R =  0.0180         683.95    23.39
TiSi3O9        PCOD3201720 R =  0.0135        1367.80    23.40
TiSi2O7        PCOD3203398 R =  0.0191        1025.82    23.40
TiSi4O11       PCOD3202466 R =  0.0160         427.38    23.40
TiSi4O11       PCOD3201377 R =  0.0193         854.71    23.40
TiSi3O9        PCOD3202869 R =  0.0196         683.76    23.40
Ti2SiO8        PCOD3201890 R =  0.0193         512.78    23.40
Ti2Si7O20      PCOD3202788 R =  0.0148         768.96    23.41
TiSi7O17       PCOD3201571 R =  0.0150        1366.92    23.41
TiSi3O9        PCOD3203766 R =  0.0171         512.57    23.41
TiSi7O17       PCOD3202703 R =  0.0178        1366.74    23.41
TiSi3O9        PCOD3201308 R =  0.0097         683.28    23.42
TiSi4O11       PCOD3202440 R =  0.0182         854.08    23.42
TiSi5O13       PCOD3201508 R =  0.0174        1024.79    23.42
Ti4Si5O22      PCOD3201116 R =  0.0139         768.45    23.42
Ti2Si3O12      PCOD3201742 R =  0.0113         426.86    23.43
Ti5Si14O43     PCOD3202773 R =  0.0130         811.02    23.43
TiSi3O9        PCOD3202557 R =  0.0123         682.92    23.43
TiSi3O9        PCOD3202982 R =  0.0177         682.80    23.43
TiSi18O39      PCOD3201269 R =  0.0168        1621.49    23.44
TiSi6O15       PCOD3202227 R =  0.0156         298.66    23.44
TiSi3O9        PCOD3202720 R =  0.0114         682.40    23.45
TiSi4O11       PCOD3202737 R =  0.0157         426.50    23.45
TiSi4O11       PCOD3202268 R =  0.0158         852.85    23.45
TiSi3O9        PCOD3202213 R =  0.0148         682.25    23.45
Ti2Si15O36     PCOD3202092 R =  0.0119         724.87    23.45
TiSi14O31      PCOD3201291 R =  0.0125        2558.22    23.45
Ti3Si8O25      PCOD3201073 R =  0.0154         468.97    23.46
TiSi12O27      PCOD3201009 R =  0.0078        1108.44    23.46
TiSi4O11       PCOD3202259 R =  0.0091         426.31    23.46
TiSi4O11       PCOD3201970 R =  0.0071         425.92    23.48
TiSi3O9        PCOD3203207 R =  0.0197        2725.06    23.49
TiSi7O17       PCOD3203201 R =  0.0158        1362.31    23.49
TiSi6O15       PCOD3203399 R =  0.0047         595.94    23.49
TiSiO5         PCOD3201809 R =  0.0183         681.07    23.49
TiSiO5         PCOD3201332 R =  0.0132        1362.13    23.49
TiSi4O11       PCOD3203755 R =  0.0156         851.21    23.50
Ti2SiO8        PCOD3201072 R =  0.0144         255.36    23.50
TiSi6O15       PCOD3201645 R =  0.0154        1191.60    23.50
Ti4Si15O42     PCOD3203625 R =  0.0140        3232.34    23.51
TiSi2O7        PCOD3201416 R =  0.0170         510.35    23.51
TiSi2O7        PCOD3202049 R =  0.0090         510.34    23.51
TiSi2O7        PCOD3202888 R =  0.0176        1020.59    23.52
TiSi6O15       PCOD3202356 R =  0.0157        1190.62    23.52
TiSi3O9        PCOD3203063 R =  0.0195         680.34    23.52
TiSi8O19       PCOD3202799 R =  0.0171        1530.76    23.52
TiSi5O13       PCOD3203471 R =  0.0138        2040.73    23.52
Ti2Si5O16      PCOD3201556 R =  0.0146         595.11    23.53
TiSi3O9        PCOD3202042 R =  0.0094         680.12    23.53
TiSi4O11       PCOD3202759 R =  0.0170         849.83    23.53
TiSi5O13       PCOD3201757 R =  0.0169        1019.71    23.54
TiSi4O11       PCOD3203393 R =  0.0192         849.74    23.54
Ti2Si7O20      PCOD3202540 R =  0.0148         764.51    23.54
Ti3Si16O41     PCOD3202903 R =  0.0183        3227.69    23.55
TiSi12O27      PCOD3201259 R =  0.0112        2208.19    23.55
TiSi9O21       PCOD3203704 R =  0.0045        1698.20    23.55
TiSi3O9        PCOD3203183 R =  0.0179         339.50    23.56
TiSi3O9        PCOD3201395 R =  0.0179         678.88    23.57
TiSi5O13       PCOD3203602 R =  0.0189        1018.24    23.57
TiSi2O7        PCOD3202730 R =  0.0184         254.55    23.57
TiSi3O9        PCOD3203484 R =  0.0161        2714.93    23.57
TiSi2O7        PCOD3202960 R =  0.0155         509.04    23.57
TiSi3O9        PCOD3201212 R =  0.0154         678.63    23.58
TiSi3O9        PCOD3203025 R =  0.0094        1017.34    23.59
TiSi5O13       PCOD3201401 R =  0.0184        1017.20    23.59
TiSi11O25      PCOD3203585 R =  0.0179        1017.05    23.60
TiSi6O15       PCOD3201945 R =  0.0062         593.27    23.60
TiSi6O15       PCOD3202324 R =  0.0145         593.12    23.60
TiSi13O29      PCOD3203519 R =  0.0104        1185.91    23.61
TiSi4O11       PCOD3201153 R =  0.0194        3388.20    23.61
TiSi6O15       PCOD3202276 R =  0.0122         592.89    23.61
Ti2Si3O12      PCOD3202138 R =  0.0127         423.46    23.61
TiSiO5         PCOD3203798 R =  0.0127         338.70    23.62
Ti2Si3O12      PCOD3202630 R =  0.0152         846.70    23.62
TiSi5O13       PCOD3202818 R =  0.0187         761.92    23.62
TiSi4O11       PCOD3201664 R =  0.0130        1693.10    23.63
TiSi4O11       PCOD3202735 R =  0.0153         846.40    23.63
TiSi7O17       PCOD3203012 R =  0.0200        1354.09    23.63
TiSi9O21       PCOD3201277 R =  0.0160         846.09    23.64
TiSiO5         PCOD3203417 R =  0.0178        1353.65    23.64
TiSi4O11       PCOD3203729 R =  0.0188         634.38    23.65
TiSi3O9        PCOD3202729 R =  0.0114         338.31    23.65
TiSi4O11       PCOD3203056 R =  0.0115         845.76    23.65
TiSi7O17       PCOD3203397 R =  0.0161        1352.74    23.66
TiSi3O9        PCOD3202671 R =  0.0175        1352.59    23.66
TiSi2O7        PCOD3203431 R =  0.0163        2281.81    23.67
TiSi4O11       PCOD3202391 R =  0.0196         422.55    23.67
TiSi3O9        PCOD3203198 R =  0.0166         675.93    23.67
TiSi4O11       PCOD3203509 R =  0.0145         844.88    23.67
TiSi9O21       PCOD3201188 R =  0.0077         844.83    23.67
TiSi2O7        PCOD3201770 R =  0.0162         506.76    23.68
TiSi3O9        PCOD3202189 R =  0.0141         675.65    23.68
TiSi4O11       PCOD3202585 R =  0.0179         844.49    23.68
TiSi5O13       PCOD3203551 R =  0.0145        1013.24    23.69
Ti4Si5O22      PCOD3201147 R =  0.0179        1519.66    23.69
TiSi3O9        PCOD3202362 R =  0.0155         337.64    23.69
TiSi4O11       PCOD3201536 R =  0.0198         421.99    23.70
TiSi3O9        PCOD3201053 R =  0.0193        1350.35    23.70
TiSi5O13       PCOD3202842 R =  0.0150         253.19    23.70
TiSi2O7        PCOD3202815 R =  0.0160         379.77    23.70
TiSi8O19       PCOD3201383 R =  0.0132         759.24    23.71
TiSi6O15       PCOD3202333 R =  0.0118         590.49    23.71
TiSi3O9        PCOD3201627 R =  0.0113        1349.60    23.71
TiSi3O9        PCOD3201472 R =  0.0118         674.79    23.71
TiSi8O19       PCOD3202320 R =  0.0178         758.93    23.72
TiSi4O11       PCOD3202655 R =  0.0139        1686.46    23.72
TiSi5O13       PCOD3201607 R =  0.0178        1011.48    23.73
TiSi3O9        PCOD3202191 R =  0.0159         674.28    23.73
TiSi2O7        PCOD3202500 R =  0.0174        1010.64    23.75
Ti2Si7O20      PCOD3202617 R =  0.0190         757.95    23.75
TiSi3O9        PCOD3202192 R =  0.0195         673.58    23.75
TiSi3O9        PCOD3202184 R =  0.0166         673.38    23.76
TiSi6O15       PCOD3202677 R =  0.0178        1178.25    23.76
TiSi4O11       PCOD3203336 R =  0.0183         420.72    23.77
TiSi4O11       PCOD3201141 R =  0.0093         841.38    23.77
Ti2Si15O36     PCOD3201027 R =  0.0181        2144.41    23.78
Ti3Si4O17      PCOD3202700 R =  0.0192        1177.17    23.79
Ti2Si5O16      PCOD3202600 R =  0.0173        1176.57    23.80
Ti4Si15O42     PCOD3201299 R =  0.0157        3193.19    23.80
TiSi9O21       PCOD3202099 R =  0.0156        1680.35    23.80
Ti2Si5O16      PCOD3202976 R =  0.0177        1176.20    23.81
TiSi6O15       PCOD3201168 R =  0.0083        1764.06    23.81
TiSi6O15       PCOD3203333 R =  0.0140        2351.56    23.81
TiSi3O9        PCOD3201558 R =  0.0192         671.84    23.82
TiSi3O9        PCOD3201574 R =  0.0186         671.43    23.83
TiSi6O15       PCOD3202322 R =  0.0170         587.36    23.84
TiSi5O13       PCOD3203289 R =  0.0162        1006.60    23.84
Ti2Si5O16      PCOD3201417 R =  0.0124         587.02    23.85
Ti2Si9O24      PCOD3203583 R =  0.0197        1844.73    23.85
TiSi7O17       PCOD3202742 R =  0.0185        2683.14    23.85
TiSiO5         PCOD3202605 R =  0.0131         670.75    23.85
Ti2Si15O36     PCOD3202089 R =  0.0176         712.67    23.85
TiSi3O9        PCOD3203147 R =  0.0119        1341.48    23.85
TiSi3O9        PCOD3202235 R =  0.0177         335.37    23.85
TiSi4O11       PCOD3202985 R =  0.0121         419.14    23.86
TiSi3O9        PCOD3202217 R =  0.0132         670.50    23.86
TiSi4O11       PCOD3202853 R =  0.0107         838.08    23.86
TiSi2O7        PCOD3202299 R =  0.0130         502.82    23.87
TiSi14O31      PCOD3202688 R =  0.0140        1257.04    23.87
TiSi4O11       PCOD3203356 R =  0.0176         837.96    23.87
TiSi6O15       PCOD3202638 R =  0.0156        1173.01    23.87
TiSi6O15       PCOD3203468 R =  0.0174         586.50    23.87
TiSi6O15       PCOD3202237 R =  0.0188         586.34    23.88
TiSi3O9        PCOD3203721 R =  0.0160         502.54    23.88
TiSi6O15       PCOD3201543 R =  0.0141         586.24    23.88
Ti2Si15O36     PCOD3201293 R =  0.0195        5693.90    23.89
TiSi4O11       PCOD3202357 R =  0.0171         837.29    23.89
Ti2Si15O36     PCOD3201279 R =  0.0200        2846.60    23.89
TiSi2O7        PCOD3203371 R =  0.0177        1004.34    23.90
TiSi6O15       PCOD3202277 R =  0.0162         585.78    23.90
TiSi2O7        PCOD3202488 R =  0.0178         501.87    23.91
TiSi3O9        PCOD3202586 R =  0.0151         669.13    23.91
TiSi8O19       PCOD3202951 R =  0.0148         752.74    23.91
TiSi10O23      PCOD3203488 R =  0.0197         919.80    23.92
TiSi9O21       PCOD3201285 R =  0.0184        3344.38    23.92
TiSi7O17       PCOD3201817 R =  0.0126        1337.74    23.92
TiSi4O11       PCOD3202589 R =  0.0142         836.05    23.92
TiSi2O7        PCOD3202214 R =  0.0175         501.63    23.92
TiSi7O17       PCOD3201553 R =  0.0161        1337.43    23.93
TiSi4O11       PCOD3202574 R =  0.0141         835.89    23.93
TiSi3O9        PCOD3202597 R =  0.0175         668.70    23.93
TiSi4O11       PCOD3203143 R =  0.0162         835.68    23.93
TiSi3O9        PCOD3203372 R =  0.0125         668.46    23.94
TiSiO5         PCOD3203651 R =  0.0065         668.34    23.94
TiSi4O11       PCOD3201423 R =  0.0110         835.28    23.94
TiSi2O7        PCOD3202432 R =  0.0117         501.16    23.94
TiSi6O15       PCOD3202272 R =  0.0200         584.68    23.94
TiSi4O11       PCOD3202311 R =  0.0109         417.55    23.95
Ti4Si3O18      PCOD3202558 R =  0.0149         584.40    23.96
Ti2Si3O12      PCOD3201758 R =  0.0199         834.80    23.96
TiSi4O11       PCOD3202243 R =  0.0178         417.35    23.96
TiSi8O19       PCOD3202697 R =  0.0176        1501.89    23.97
Ti2SiO8        PCOD3203683 R =  0.0155         500.52    23.98
TiSi7O17       PCOD3202694 R =  0.0161         333.58    23.98
TiSi2O7        PCOD3201051 R =  0.0130        1000.71    23.98
Ti3Si10O29     PCOD3201481 R =  0.0193        1084.07    23.98
TiSi3O9        PCOD3201365 R =  0.0160         333.38    24.00
TiSi5O13       PCOD3203197 R =  0.0060        1000.10    24.00
Ti2Si3O12      PCOD3203659 R =  0.0133         416.70    24.00
TiSi6O15       PCOD3203049 R =  0.0126        1166.46    24.00
TiSi3O9        PCOD3202404 R =  0.0181         666.52    24.01
TiSi3O9        PCOD3201422 R =  0.0174         666.49    24.01
TiSi4O11       PCOD3202629 R =  0.0129         833.10    24.01
TiSiO5         PCOD3201057 R =  0.0031         166.60    24.01
Ti2Si5O16      PCOD3203291 R =  0.0183         291.51    24.01
TiSi4O11       PCOD3201951 R =  0.0063         416.37    24.02
TiSi2O7        PCOD3203605 R =  0.0172         499.57    24.02
Ti3Si4O17      PCOD3203142 R =  0.0179         582.59    24.03
Ti2SiO8        PCOD3201399 R =  0.0177         499.32    24.03
TiSi6O15       PCOD3202959 R =  0.0174         582.54    24.03
TiSi4O11       PCOD3202552 R =  0.0122         831.97    24.04
Ti2Si3O12      PCOD3203192 R =  0.0199         831.56    24.05
TiSi9O21       PCOD3203166 R =  0.0178         831.53    24.05
TiSi4O11       PCOD3203290 R =  0.0189         831.41    24.06
TiSi5O13       PCOD3203134 R =  0.0112         997.58    24.06
TiSi4O11       PCOD3203175 R =  0.0181         831.15    24.06
TiSi3O9        PCOD3201503 R =  0.0199         664.89    24.06
TiSi4O11       PCOD3201136 R =  0.0120        1662.03    24.07
TiSi3O9        PCOD3201494 R =  0.0116         664.79    24.07
TiSi5O13       PCOD3203026 R =  0.0198         498.52    24.07
TiSi6O15       PCOD3202544 R =  0.0179         581.52    24.07
TiSi8O19       PCOD3201314 R =  0.0139        1494.69    24.09
TiSi4O11       PCOD3201076 R =  0.0169         622.67    24.09
TiSi5O13       PCOD3202352 R =  0.0185         996.22    24.09
Ti2Si7O20      PCOD3202547 R =  0.0170         746.56    24.11
TiSi3O9        PCOD3203792 R =  0.0153         663.42    24.12
TiSi6O15       PCOD3203578 R =  0.0148        1160.66    24.12
Ti2Si3O12      PCOD3201524 R =  0.0182        1657.83    24.13
TiSi6O15       PCOD3202278 R =  0.0162         580.21    24.13
TiSiO5         PCOD3202393 R =  0.0104         331.50    24.13
TiSiO5         PCOD3202932 R =  0.0046         331.47    24.13
TiSi2O7        PCOD3201681 R =  0.0176         497.06    24.14
Ti2Si3O12      PCOD3201842 R =  0.0132         828.43    24.14
TiSi4O11       PCOD3202554 R =  0.0195         828.34    24.14
TiSi6O15       PCOD3201500 R =  0.0113         579.69    24.15
TiSiO5         PCOD3203258 R =  0.0043        1324.92    24.15
TiSiO5         PCOD3202863 R =  0.0054         331.22    24.15
TiSi5O13       PCOD3201595 R =  0.0149         993.64    24.15
TiSi4O11       PCOD3202559 R =  0.0185         413.98    24.16
TiSi6O15       PCOD3202577 R =  0.0162         579.56    24.16
TiSi9O21       PCOD3202686 R =  0.0063        2483.56    24.16
TiSi14O31      PCOD3201034 R =  0.0186        1241.66    24.16
TiSiO5         PCOD3201593 R =  0.0044         662.19    24.16
TiSi6O15       PCOD3202936 R =  0.0191        1158.58    24.17
TiSi10O23      PCOD3201148 R =  0.0177        1820.61    24.17
TiSi6O15       PCOD3203418 R =  0.0164         578.85    24.19
TiSi9O21       PCOD3201177 R =  0.0176        2479.42    24.20
TiSi6O15       PCOD3201630 R =  0.0144        1156.81    24.20
TiSi5O13       PCOD3203374 R =  0.0186        3964.88    24.21
TiSi8O19       PCOD3201835 R =  0.0168        1486.46    24.22
TiSi2O7        PCOD3202764 R =  0.0184         247.71    24.22
TiSi4O11       PCOD3203127 R =  0.0196         825.70    24.22
TiSi4O11       PCOD3203457 R =  0.0155        1651.38    24.22
TiSi2O7        PCOD3202929 R =  0.0191        1981.34    24.23
TiSiO5         PCOD3203607 R =  0.0042         165.10    24.23
TiSiO5         PCOD3202762 R =  0.0045         660.27    24.23
TiSi9O21       PCOD3203737 R =  0.0168        1650.66    24.23
TiSi10O23      PCOD3202706 R =  0.0178         907.82    24.23
TiSiO5         PCOD3203416 R =  0.0043         330.09    24.24
TiSi8O19       PCOD3203075 R =  0.0174         742.48    24.24
TiSiO5         PCOD3201451 R =  0.0050         989.91    24.24
TiSiO5         PCOD3201322 R =  0.0050         989.76    24.25
TiSiO5         PCOD3201701 R =  0.0101         659.40    24.26
TiSi2O7        PCOD3202883 R =  0.0181        1978.20    24.26
TiSi6O15       PCOD3203724 R =  0.0113         865.44    24.27
TiSi6O15       PCOD3201704 R =  0.0183         576.75    24.27
TiSi3O9        PCOD3201497 R =  0.0158         659.01    24.28
TiSi4O11       PCOD3202249 R =  0.0198         823.51    24.29
TiSi3O9        PCOD3201386 R =  0.0151         658.75    24.29
TiSi2O7        PCOD3202568 R =  0.0198         494.02    24.29
TiSi7O17       PCOD3203083 R =  0.0130        1316.83    24.30
TiSi3O9        PCOD3203511 R =  0.0164         493.52    24.32
TiSi5O13       PCOD3201581 R =  0.0177         986.99    24.32
Ti2Si9O24      PCOD3202425 R =  0.0167         904.26    24.33
Ti2Si3O12      PCOD3201075 R =  0.0130        2465.94    24.33
TiSi12O27      PCOD3203167 R =  0.0088        1068.49    24.33
TiSi2O7        PCOD3201427 R =  0.0132         493.07    24.34
TiSi3O9        PCOD3202409 R =  0.0131         657.35    24.34
Ti3Si4O17      PCOD3203169 R =  0.0132         575.16    24.34
TiSi4O11       PCOD3202880 R =  0.0105         410.71    24.35
TiSi8O19       PCOD3203151 R =  0.0164         739.15    24.35
Ti2SiO8        PCOD3203285 R =  0.0110         492.58    24.36
TiSi12O27      PCOD3203520 R =  0.0188        1067.25    24.36
TiSi6O15       PCOD3202332 R =  0.0169         574.64    24.36
TiSi8O19       PCOD3202331 R =  0.0153         738.74    24.37
Ti3Si4O17      PCOD3203278 R =  0.0127         574.56    24.37
TiSi3O9        PCOD3202281 R =  0.0194         656.45    24.37
Ti2SiO8        PCOD3201394 R =  0.0169         492.07    24.39
TiSi6O15       PCOD3202659 R =  0.0117        1148.04    24.39
TiSi3O9        PCOD3201608 R =  0.0129         655.93    24.39
Ti2Si7O20      PCOD3203294 R =  0.0139        1475.50    24.40
TiSi2O7        PCOD3203390 R =  0.0101         491.75    24.40
Ti2Si5O16      PCOD3202375 R =  0.0194         573.65    24.41
TiSiO5         PCOD3201986 R =  0.0082         655.30    24.42
Ti2Si9O24      PCOD3201012 R =  0.0163         450.49    24.42
TiSi6O15       PCOD3203477 R =  0.0153        1720.03    24.42
TiSi3O9        PCOD3201659 R =  0.0137        2620.61    24.42
TiSi7O17       PCOD3201482 R =  0.0170         655.06    24.43
TiSi5O13       PCOD3203787 R =  0.0167         982.58    24.43
TiSi4O11       PCOD3202301 R =  0.0173         409.34    24.43
Ti2Si7O20      PCOD3201658 R =  0.0193        2946.72    24.43
TiSi6O15       PCOD3201814 R =  0.0130        1145.57    24.44
TiSi2O7        PCOD3201755 R =  0.0142         490.86    24.45
TiSi6O15       PCOD3201370 R =  0.0084         572.60    24.45
TiSi5O13       PCOD3202108 R =  0.0179         245.34    24.46
TiSi4O11       PCOD3201599 R =  0.0125         817.70    24.46
TiSi2O7        PCOD3202279 R =  0.0122         490.54    24.46
Ti2Si3O12      PCOD3203661 R =  0.0199         817.37    24.47
TiSi4O11       PCOD3202873 R =  0.0090         817.28    24.47
TiSi4O11       PCOD3202029 R =  0.0082         408.52    24.48
TiSi12O27      PCOD3203311 R =  0.0194         530.80    24.49
TiSi6O15       PCOD3203741 R =  0.0102        1143.08    24.50
TiSi4O11       PCOD3202785 R =  0.0184         408.19    24.50
TiSi6O15       PCOD3203379 R =  0.0187         857.10    24.50
TiSi6O15       PCOD3203193 R =  0.0108        1142.61    24.51
TiSiO5         PCOD3201358 R =  0.0199         652.72    24.51
TiSi4O11       PCOD3201975 R =  0.0075         407.92    24.51
TiSi10O23      PCOD3202858 R =  0.0193         897.35    24.52
Ti2Si5O16      PCOD3202666 R =  0.0181        1142.07    24.52
TiSi2O7        PCOD3201741 R =  0.0156         733.89    24.53
TiSi6O15       PCOD3202113 R =  0.0169         285.22    24.54
TiSi6O15       PCOD3202791 R =  0.0193         570.36    24.55
TiSi4O11       PCOD3201490 R =  0.0185         407.25    24.55
TiSi12O27      PCOD3203029 R =  0.0161        1058.59    24.56
TiSi8O19       PCOD3203757 R =  0.0114        1464.57    24.58
TiSi6O15       PCOD3203632 R =  0.0198        1139.07    24.58
TiSi5O13       PCOD3202919 R =  0.0163         975.83    24.59
TiSi6O15       PCOD3201827 R =  0.0125        1138.08    24.60
TiSiO5         PCOD3201669 R =  0.0165         975.40    24.61
Ti2Si3O12      PCOD3202267 R =  0.0150         406.38    24.61
TiSi3O9        PCOD3202216 R =  0.0152         650.11    24.61
TiSiO5         PCOD3202575 R =  0.0125         650.06    24.61
TiSi2O7        PCOD3202000 R =  0.0084         487.39    24.62
TiSi6O15       PCOD3203222 R =  0.0195         852.75    24.63
TiSi6O15       PCOD3201236 R =  0.0134         568.49    24.63
TiSi4O11       PCOD3201529 R =  0.0108         812.12    24.63
TiSi9O21       PCOD3201162 R =  0.0182        1218.09    24.63
TiSi7O17       PCOD3203549 R =  0.0159        1298.80    24.64
TiSi2O7        PCOD3202405 R =  0.0128         486.96    24.64
TiSi3O9        PCOD3201706 R =  0.0174         649.18    24.65
Ti2Si15O36     PCOD3203715 R =  0.0132        2758.62    24.65
TiSi11O25      PCOD3201623 R =  0.0197        1947.17    24.65
TiSi2O7        PCOD3202994 R =  0.0085         486.75    24.65
TiSi2O7        PCOD3201847 R =  0.0182        1946.90    24.65
TiSi3O9        PCOD3201132 R =  0.0178        1297.77    24.66
Ti2Si9O24      PCOD3201096 R =  0.0175        1783.60    24.67
TiSi12O27      PCOD3203210 R =  0.0154        1053.79    24.67
TiSi7O17       PCOD3203187 R =  0.0199        1296.93    24.67
TiSi4O11       PCOD3202588 R =  0.0128         810.41    24.68
Ti2Si3O12      PCOD3202350 R =  0.0129         810.38    24.68
TiSi18O39      PCOD3201178 R =  0.0159        4618.99    24.68
TiSi6O15       PCOD3202783 R =  0.0110         283.47    24.69
Ti5Si8O31      PCOD3203518 R =  0.0178         526.33    24.70
TiSi7O17       PCOD3202565 R =  0.0163         647.58    24.71
TiSi6O15       PCOD3202296 R =  0.0198         566.31    24.72
TiSi2O7        PCOD3202475 R =  0.0143         485.38    24.72
TiSi3O9        PCOD3203073 R =  0.0195         647.08    24.73
TiSi6O15       PCOD3201609 R =  0.0136        1132.24    24.73
TiSi4O11       PCOD3201768 R =  0.0191         808.52    24.74
TiSi5O13       PCOD3201434 R =  0.0194         969.77    24.75
TiSi5O13       PCOD3201790 R =  0.0137         969.43    24.76
TiSi16O35      PCOD3201127 R =  0.0125        2746.52    24.76
Ti2Si5O16      PCOD3202899 R =  0.0158        1130.28    24.77
TiSi8O19       PCOD3202340 R =  0.0128         726.42    24.78
TiSi4O11       PCOD3202840 R =  0.0185         403.47    24.78
TiSi2O7        PCOD3202937 R =  0.0199         967.72    24.80
TiSi8O19       PCOD3203194 R =  0.0135        1450.69    24.82
TiSi7O17       PCOD3202794 R =  0.0173        1289.29    24.82
TiSi2O7        PCOD3202392 R =  0.0153         483.36    24.83
TiSi5O13       PCOD3201355 R =  0.0178         966.68    24.83
TiSi5O13       PCOD3203656 R =  0.0166         483.24    24.83
TiSi2O7        PCOD3201677 R =  0.0172         483.01    24.84
TiSi2O7        PCOD3201521 R =  0.0190         482.95    24.85
TiSi6O15       PCOD3203094 R =  0.0195         845.04    24.85
Ti2Si3O12      PCOD3203362 R =  0.0094         804.52    24.86
TiSi8O19       PCOD3202846 R =  0.0175        1447.34    24.87
Ti4Si9O30      PCOD3201068 R =  0.0199        1045.27    24.87
Ti2Si3O12      PCOD3203536 R =  0.0093         803.97    24.88
TiSi2O7        PCOD3203236 R =  0.0156         241.16    24.88
TiSi4O11       PCOD3201639 R =  0.0099         803.57    24.89
TiSi2O7        PCOD3202395 R =  0.0142         482.13    24.89
TiSi2O7        PCOD3203795 R =  0.0143        1927.98    24.90
TiSi5O13       PCOD3202790 R =  0.0182         963.81    24.90
TiSi4O11       PCOD3201774 R =  0.0188         803.12    24.90
TiSi6O15       PCOD3201511 R =  0.0135        1124.31    24.90
TiSi4O11       PCOD3202978 R =  0.0198         401.39    24.91
TiSi2O7        PCOD3203047 R =  0.0153         481.66    24.91
TiSi2O7        PCOD3203460 R =  0.0128         963.13    24.92
TiSi3O9        PCOD3202186 R =  0.0165         642.05    24.92
TiSi6O15       PCOD3201894 R =  0.0158        1122.59    24.94
TiSi4O11       PCOD3203344 R =  0.0198         801.76    24.95
TiSi6O15       PCOD3202966 R =  0.0084        2244.20    24.95
TiSi5O13       PCOD3201570 R =  0.0143         961.78    24.95
TiSi8O19       PCOD3202060 R =  0.0127         721.20    24.96
TiSi6O15       PCOD3202388 R =  0.0139         560.83    24.96
TiSi3O9        PCOD3201373 R =  0.0175         640.73    24.97
TiSi3O9        PCOD3203685 R =  0.0177        2562.51    24.98
TiSi2O7        PCOD3201465 R =  0.0110         960.88    24.98
TiSi4O11       PCOD3203058 R =  0.0191         200.11    24.99
TiSi3O9        PCOD3202194 R =  0.0142         640.28    24.99
TiSi6O15       PCOD3202896 R =  0.0178        1120.38    24.99
TiSi2O7        PCOD3203671 R =  0.0164        1080.27    24.99
TiSi2O7        PCOD3201210 R =  0.0154         479.96    25.00
TiSi2O7        PCOD3201696 R =  0.0176         479.79    25.01
TiSi12O27      PCOD3201074 R =  0.0166        1558.98    25.02
TiSi6O15       PCOD3201439 R =  0.0145        1118.55    25.03
TiSi2O7        PCOD3201862 R =  0.0128         958.69    25.03
TiSiO5         PCOD3202889 R =  0.0173         638.91    25.04
TiSi2O7        PCOD3203345 R =  0.0122         479.08    25.05
TiSi3O9        PCOD3202624 R =  0.0140         638.48    25.06
TiSi4O11       PCOD3203016 R =  0.0161         598.26    25.07
TiSi6O15       PCOD3202317 R =  0.0118         558.27    25.08
TiSi11O25      PCOD3202076 R =  0.0188         478.43    25.08
TiSi7O17       PCOD3201509 R =  0.0151        1275.54    25.09
TiSi3O9        PCOD3201622 R =  0.0121         637.58    25.09
TiSi2O7        PCOD3202030 R =  0.0092         238.93    25.11
TiSi2O7        PCOD3202553 R =  0.0160         477.74    25.12
TiSi6O15       PCOD3202328 R =  0.0100         557.34    25.12
TiSiO5         PCOD3202519 R =  0.0184        1273.90    25.12
TiSi3O9        PCOD3202975 R =  0.0130         318.47    25.12
TiSi4O11       PCOD3202560 R =  0.0134         795.83    25.13
TiSi5O13       PCOD3201518 R =  0.0177         954.94    25.13
TiSi18O39      PCOD3202813 R =  0.0158        2267.79    25.13
TiSi6O15       PCOD3202835 R =  0.0199        1113.54    25.15
Ti2Si3O12      PCOD3203011 R =  0.0190         795.34    25.15
TiSi3O9        PCOD3202620 R =  0.0111         635.90    25.16
TiSi6O15       PCOD3202327 R =  0.0115         556.41    25.16
TiSi4O11       PCOD3202529 R =  0.0195         794.28    25.18
TiSi8O19       PCOD3201349 R =  0.0181        1429.69    25.18
TiSi9O21       PCOD3203673 R =  0.0182         794.22    25.18
TiSi4O11       PCOD3201388 R =  0.0181         794.18    25.18
Ti2Si11O28     PCOD3203005 R =  0.0193        2064.47    25.19
TiSi2O7        PCOD3201992 R =  0.0078         476.26    25.20
TiSi2O7        PCOD3201327 R =  0.0138         476.15    25.20
TiSi10O23      PCOD3201040 R =  0.0121         436.36    25.21
TiSi3O9        PCOD3201061 R =  0.0200         951.66    25.22
TiSi5O13       PCOD3203053 R =  0.0173         951.30    25.23
TiSi2O7        PCOD3202482 R =  0.0170         475.46    25.24
TiSi6O15       PCOD3203450 R =  0.0193        1109.21    25.24
TiSi2O7        PCOD3203286 R =  0.0114         237.63    25.25
TiSi2O7        PCOD3201389 R =  0.0131         475.23    25.25
TiSi2O7        PCOD3203138 R =  0.0114         474.99    25.26
Ti2Si9O24      PCOD3203470 R =  0.0179        1740.97    25.27
TiSi4O11       PCOD3202303 R =  0.0107         395.59    25.28
TiSi2O7        PCOD3202293 R =  0.0197         474.40    25.30
TiSi2O7        PCOD3203444 R =  0.0114         118.59    25.30
TiSi3O9        PCOD3202174 R =  0.0167         316.13    25.31
TiSi4O11       PCOD3203313 R =  0.0186         790.24    25.31
TiSi3O9        PCOD3202247 R =  0.0181         632.13    25.31
TiSi4O11       PCOD3202572 R =  0.0141         790.08    25.31
TiSi3O9        PCOD3201462 R =  0.0150        1264.07    25.32
TiSi4O11       PCOD3202885 R =  0.0155         789.62    25.33
TiSi6O15       PCOD3202274 R =  0.0199         552.57    25.34
TiSi4O11       PCOD3202911 R =  0.0124         789.14    25.34
TiSiO5         PCOD3201135 R =  0.0143         630.98    25.36
TiSi4O11       PCOD3202287 R =  0.0111         394.31    25.36
TiSi4O11       PCOD3201846 R =  0.0200         788.56    25.36
TiSi5O13       PCOD3203036 R =  0.0172         236.53    25.37
TiSi4O11       PCOD3202199 R =  0.0157         788.06    25.38
TiSi3O9        PCOD3202372 R =  0.0179         314.99    25.40
TiSi8O19       PCOD3203149 R =  0.0121         708.72    25.40
TiSi5O13       PCOD3202211 R =  0.0162         944.18    25.42
Ti3Si8O25      PCOD3201179 R =  0.0149        2595.95    25.42
Ti2Si5O16      PCOD3202877 R =  0.0198         550.25    25.44
TiSi7O17       PCOD3202953 R =  0.0198         628.84    25.44
TiSi5O13       PCOD3203385 R =  0.0192         235.81    25.44
TiSi3O9        PCOD3201493 R =  0.0171         628.69    25.45
TiSi3O9        PCOD3201453 R =  0.0141         628.47    25.46
TiSi6O15       PCOD3202861 R =  0.0197        1099.68    25.46
TiSi3O9        PCOD3201176 R =  0.0157        2827.51    25.46
TiSi3O9        PCOD3201871 R =  0.0139        2512.92    25.47
TiSi3O9        PCOD3203554 R =  0.0173        1256.32    25.47
TiSi6O15       PCOD3201880 R =  0.0181        2197.18    25.49
Ti2Si9O24      PCOD3203230 R =  0.0199         863.15    25.49
TiSi2O7        PCOD3201309 R =  0.0079         235.33    25.50
Ti3Si8O25      PCOD3203640 R =  0.0188        1293.98    25.50
TiSi2O7        PCOD3203100 R =  0.0199         705.71    25.51
TiSi4O11       PCOD3201881 R =  0.0163         783.67    25.52
TiSi2O7        PCOD3202215 R =  0.0170         470.06    25.53
TiSi3O9        PCOD3201385 R =  0.0191         626.48    25.54
Ti2Si11O28     PCOD3201069 R =  0.0198        2035.83    25.54
TiSi6O15       PCOD3202323 R =  0.0135         548.05    25.55
TiSi6O15       PCOD3202337 R =  0.0160         547.97    25.55
TiSi6O15       PCOD3202909 R =  0.0184         547.95    25.55
TiSi7O17       PCOD3201616 R =  0.0199        1252.42    25.55
TiSi3O9        PCOD3202604 R =  0.0176         626.10    25.56
Ti3Si14O37     PCOD3201273 R =  0.0143        1329.96    25.56
TiSi3O9        PCOD3202307 R =  0.0110         625.77    25.57
TiSi2O7        PCOD3202052 R =  0.0096         469.15    25.58
TiSiO5         PCOD3201430 R =  0.0155         625.46    25.58
TiSi6O15       PCOD3203762 R =  0.0104        1093.49    25.61
TiSi10O23      PCOD3202768 R =  0.0188        1716.83    25.63
TiSi8O19       PCOD3202973 R =  0.0159         702.09    25.64
TiSi12O27      PCOD3203032 R =  0.0199         506.43    25.67
TiSi3O9        PCOD3201413 R =  0.0199         623.13    25.68
TiSi2O7        PCOD3202718 R =  0.0121         467.24    25.68
TiSi2O7        PCOD3203437 R =  0.0197         466.91    25.70
TiSi3O9        PCOD3203039 R =  0.0192         622.44    25.71
TiSi5O13       PCOD3202856 R =  0.0182         933.12    25.72
TiSi3O9        PCOD3201496 R =  0.0124         621.49    25.74
TiSiO5         PCOD3202721 R =  0.0196         310.73    25.75
TiSi12O27      PCOD3203433 R =  0.0196        1008.63    25.78
TiSi9O21       PCOD3203517 R =  0.0178         387.87    25.78
Ti2Si9O24      PCOD3203305 R =  0.0195        1706.61    25.78
TiSi2O7        PCOD3201320 R =  0.0108         465.26    25.79
TiSi6O15       PCOD3201290 R =  0.0140        2171.16    25.79
TiSi3O9        PCOD3202132 R =  0.0198         310.10    25.80
TiSi6O15       PCOD3201287 R =  0.0173        2170.68    25.80
Ti2Si5O16      PCOD3201390 R =  0.0185        1085.14    25.80
TiSi7O17       PCOD3202148 R =  0.0171         619.67    25.82
TiSi6O15       PCOD3201686 R =  0.0151        1084.40    25.82
TiSi3O9        PCOD3202570 R =  0.0187         619.61    25.82
TiSi4O11       PCOD3202594 R =  0.0164         774.32    25.83
TiSi8O19       PCOD3203084 R =  0.0180         696.69    25.84
TiSi5O13       PCOD3202709 R =  0.0163         928.65    25.84
TiSi5O13       PCOD3201873 R =  0.0186        3714.36    25.85
TiSi6O15       PCOD3201292 R =  0.0187        2165.76    25.86
Ti2Si5O16      PCOD3203150 R =  0.0194         541.18    25.87
TiSiO5         PCOD3201783 R =  0.0162         309.16    25.88
TiSi2O7        PCOD3203622 R =  0.0150         463.66    25.88
Ti2Si9O24      PCOD3203260 R =  0.0181        1699.72    25.89
TiSi5O13       PCOD3201765 R =  0.0131         926.72    25.90
TiSi6O15       PCOD3202147 R =  0.0172         540.44    25.90
TiSi2O7        PCOD3201411 R =  0.0159         462.99    25.92
TiSi2O7        PCOD3202657 R =  0.0159         462.91    25.92
TiSi5O13       PCOD3201219 R =  0.0177         925.52    25.93
TiSi4O11       PCOD3201400 R =  0.0182         771.07    25.94
TiSi5O13       PCOD3202627 R =  0.0159         925.17    25.94
TiSi8O19       PCOD3201840 R =  0.0122        1387.68    25.94
Ti2Si5O16      PCOD3202358 R =  0.0128        1079.02    25.95
TiSi5O13       PCOD3203066 R =  0.0173         462.37    25.95
Ti2Si5O16      PCOD3201875 R =  0.0139        4314.86    25.96
TiSi2O7        PCOD3202667 R =  0.0160         462.19    25.96
TiSi4O11       PCOD3202021 R =  0.0082         769.93    25.98
TiSi2O7        PCOD3203791 R =  0.0175         461.81    25.98
Ti2Si11O28     PCOD3201152 R =  0.0183        4002.10    25.99
Ti2Si15O36     PCOD3201251 R =  0.0163        1308.34    25.99
TiSi6O15       PCOD3203646 R =  0.0190         538.64    25.99
TiSi2O7        PCOD3201819 R =  0.0139         923.36    25.99
TiSi4O11       PCOD3203240 R =  0.0190         384.13    26.03
TiSi3O9        PCOD3202741 R =  0.0149         614.41    26.04
TiSi3O9        PCOD3203742 R =  0.0148         613.97    26.06
TiSi3O9        PCOD3203376 R =  0.0182        2762.76    26.06
TiSi3O9        PCOD3203410 R =  0.0149         613.88    26.06
TiSi5O13       PCOD3202591 R =  0.0164         920.80    26.06
Ti2Si5O16      PCOD3203079 R =  0.0194         536.91    26.08
TiSi3O9        PCOD3203048 R =  0.0140         613.30    26.09
TiSi8O19       PCOD3203292 R =  0.0187         689.89    26.09
Ti2Si19O44     PCOD3203088 R =  0.0183         804.86    26.09
TiSi4O11       PCOD3201499 R =  0.0172         766.53    26.09
TiSi4O11       PCOD3202300 R =  0.0182         383.14    26.10
TiSi12O27      PCOD3202086 R =  0.0127         996.11    26.10
Ti2Si3O12      PCOD3201705 R =  0.0189         382.85    26.12
TiSi5O13       PCOD3201505 R =  0.0133         918.58    26.13
TiSi8O19       PCOD3202615 R =  0.0129         688.82    26.13
TiSi3O9        PCOD3202689 R =  0.0155         611.72    26.16
TiSi11O25      PCOD3202252 R =  0.0178         917.15    26.17
TiSi2O7        PCOD3203544 R =  0.0191        1832.09    26.20
TiSi4O11       PCOD3201824 R =  0.0194         762.91    26.22
Ti2Si3O12      PCOD3201512 R =  0.0108         762.68    26.22
TiSi6O15       PCOD3203451 R =  0.0164        1067.51    26.23
TiSi4O11       PCOD3202292 R =  0.0160         381.13    26.24
TiSi12O27      PCOD3203205 R =  0.0178         989.19    26.28
TiSi5O13       PCOD3201436 R =  0.0103         913.08    26.28
Ti5Si13O41     PCOD3203420 R =  0.0157        1369.40    26.29
TiSi3O9        PCOD3201311 R =  0.0145         608.61    26.29
TiSiO5         PCOD3202844 R =  0.0112         304.29    26.29
TiSi3O9        PCOD3203600 R =  0.0144         608.49    26.29
TiSi4O11       PCOD3202639 R =  0.0184        1520.00    26.32
TiSi2O7        PCOD3203387 R =  0.0197         455.98    26.32
TiSi4O11       PCOD3203064 R =  0.0156         759.76    26.32
Ti2Si5O16      PCOD3201225 R =  0.0193        1063.27    26.33
Ti2Si3O12      PCOD3203487 R =  0.0199         379.63    26.34
TiSiO5         PCOD3203576 R =  0.0112         151.73    26.36
TiSi7O17       PCOD3203604 R =  0.0173         606.81    26.37
TiSi3O9        PCOD3201059 R =  0.0177         605.96    26.40
TiSi8O19       PCOD3202704 R =  0.0197        1362.80    26.42
TiSi6O15       PCOD3201310 R =  0.0146         529.66    26.43
TiSi7O17       PCOD3203041 R =  0.0155         604.55    26.47
Ti2Si15O36     PCOD3203485 R =  0.0143        5136.06    26.48
Ti2Si9O24      PCOD3203335 R =  0.0181         830.44    26.49
TiSi4O11       PCOD3203334 R =  0.0167         377.32    26.50
TiSi6O15       PCOD3201534 R =  0.0192         527.82    26.52
TiSi8O19       PCOD3203067 R =  0.0163         678.56    26.53
TiSi4O11       PCOD3202991 R =  0.0180         753.75    26.53
TiSi9O21       PCOD3201175 R =  0.0146        2256.45    26.59
TiSi10O23      PCOD3201806 R =  0.0154        1654.55    26.59
TiSi4O11       PCOD3202731 R =  0.0199        1503.58    26.60
TiSi4O11       PCOD3201552 R =  0.0160         751.65    26.61
TiSi4O11       PCOD3202343 R =  0.0171         751.33    26.62
TiSi8O19       PCOD3203082 R =  0.0159        1351.12    26.64
TiSi3O9        PCOD3202431 R =  0.0164         599.87    26.67
TiSi9O21       PCOD3202748 R =  0.0178        1498.55    26.69
TiSi8O19       PCOD3201375 R =  0.0200         673.77    26.72
TiSi5O13       PCOD3202595 R =  0.0188         898.35    26.72
TiSi6O15       PCOD3202313 R =  0.0191         523.76    26.73
TiSi6O15       PCOD3201636 R =  0.0181        1046.33    26.76
Ti2Si3O12      PCOD3202467 R =  0.0176         373.60    26.77
Ti2Si7O20      PCOD3203180 R =  0.0162         672.42    26.77
TiSi6O15       PCOD3201138 R =  0.0197        2089.56    26.80
TiSi8O19       PCOD3203395 R =  0.0173         671.09    26.82
TiSi10O23      PCOD3203383 R =  0.0180        1640.24    26.83
TiSi4O11       PCOD3203052 R =  0.0197         744.59    26.86
TiSi2O7        PCOD3201526 R =  0.0175         446.56    26.87
TiSi6O15       PCOD3201185 R =  0.0178         780.75    26.90
TiSi3O9        PCOD3202087 R =  0.0187         594.41    26.92
TiSi4O11       PCOD3201795 R =  0.0149         371.40    26.93
TiSi3O9        PCOD3202855 R =  0.0200         593.59    26.95
TiSi11O25      PCOD3201126 R =  0.0194        1780.24    26.96
TiSi9O21       PCOD3203377 R =  0.0140        2224.76    26.97
TiSi4O11       PCOD3202772 R =  0.0153         370.72    26.97
TiSi12O27      PCOD3203312 R =  0.0176         481.57    27.00
TiSi4O11       PCOD3203503 R =  0.0182         739.31    27.05
TiSi2O7        PCOD3203159 R =  0.0150         441.99    27.15
TiSi6O15       PCOD3201626 R =  0.0188        1029.66    27.19
TiSi3O9        PCOD3201180 R =  0.0132         881.29    27.23
TiSi5O13       PCOD3201483 R =  0.0174         440.44    27.25
TiSi6O15       PCOD3202792 R =  0.0186         513.79    27.25
TiSi5O13       PCOD3201043 R =  0.0178         880.73    27.25
Ti2Si9O24      PCOD3203178 R =  0.0198         807.25    27.25
TiSi2O7        PCOD3203570 R =  0.0096         330.17    27.26
Ti3Si7O23      PCOD3203441 R =  0.0182         733.00    27.29
Ti2Si9O24      PCOD3201049 R =  0.0172        1612.06    27.29
TiSi8O19       PCOD3203076 R =  0.0172         659.32    27.30
TiSi2O7        PCOD3203541 R =  0.0152         439.28    27.32
TiSi3O9        PCOD3202970 R =  0.0186         292.52    27.35
Ti2Si9O24      PCOD3202080 R =  0.0113        1203.24    27.43
TiSi2O7        PCOD3201740 R =  0.0185         874.41    27.45
TiSi2O7        PCOD3201231 R =  0.0194         437.04    27.46
TiSi4O11       PCOD3203126 R =  0.0119         726.83    27.52
TiSi3O9        PCOD3203754 R =  0.0172         581.17    27.53
TiSi6O15       PCOD3201428 R =  0.0180        1012.24    27.66
TiSi3O9        PCOD3201326 R =  0.0190         289.01    27.68
TiSi6O15       PCOD3201771 R =  0.0172        1006.94    27.81
TiSi6O15       PCOD3201182 R =  0.0133        3018.22    27.83
TiSi3O9        PCOD3202917 R =  0.0181        1148.94    27.85
TiSi3O9        PCOD3201123 R =  0.0195         573.47    27.90
TiSi4O11       PCOD3203449 R =  0.0185         358.15    27.92
TiSi6O15       PCOD3201619 R =  0.0176         501.25    27.93
TiSi9O21       PCOD3203401 R =  0.0153        2147.67    27.94
TiSi6O15       PCOD3203348 R =  0.0114         995.79    28.12
TiSi5O13       PCOD3203121 R =  0.0199         852.78    28.14
TiSi8O19       PCOD3203211 R =  0.0163        1278.73    28.15
TiSi3O9        PCOD3203639 R =  0.0156         568.31    28.15
TiSi3O9        PCOD3202263 R =  0.0188         284.06    28.16
TiSi6O15       PCOD3203168 R =  0.0189         495.11    28.28
TiSi9O21       PCOD3202712 R =  0.0199         705.39    28.35
TiSi2O7        PCOD3202795 R =  0.0162         422.63    28.39
TiSi4O11       PCOD3201644 R =  0.0186         704.18    28.40
TiSi4O11       PCOD3202566 R =  0.0133         351.95    28.41
TiSi4O11       PCOD3202827 R =  0.0191         351.74    28.43
TiSi5O13       PCOD3201324 R =  0.0163         421.46    28.47
TiSi5O13       PCOD3202926 R =  0.0175         420.57    28.53
TiSi2O7        PCOD3202878 R =  0.0186         419.92    28.58
TiSi5O13       PCOD3203802 R =  0.0197        1678.45    28.60
TiSi8O19       PCOD3201736 R =  0.0199         628.56    28.64
Ti4Si15O42     PCOD3202103 R =  0.0160        1325.09    28.68
TiSi4O11       PCOD3201718 R =  0.0166         697.01    28.69
TiSi4O11       PCOD3201772 R =  0.0166         696.93    28.70
TiSi4O11       PCOD3201323 R =  0.0166         696.51    28.71
TiSi3O9        PCOD3203069 R =  0.0199         556.28    28.76
TiSi4O11       PCOD3201366 R =  0.0173         347.25    28.80
TiSi6O15       PCOD3203496 R =  0.0124         967.40    28.94
TiSi3O9        PCOD3201464 R =  0.0196         550.44    29.07
TiSi4O11       PCOD3202542 R =  0.0185         342.27    29.22
TiSi8O19       PCOD3203679 R =  0.0178        1231.11    29.24
TiSi3O9        PCOD3203044 R =  0.0164         542.09    29.52
TiSi3O9        PCOD3203302 R =  0.0163         270.72    29.55
TiSi4O11       PCOD3202705 R =  0.0175         335.92    29.77
TiSi4O11       PCOD3203074 R =  0.0166         330.90    30.22
TiSi5O13       PCOD3202997 R =  0.0165         394.77    30.40
TiSi7O17       PCOD3201140 R =  0.0135        1051.72    30.43
