Titanium
silicates hypothetical 3D models
with the more opened frameworks
predicted by GRINSP
ordered according to increasing FD
(FD = Framework Density = number of Si/Ti in 1000 A3)
Formula PCOD entry R V(A3) FD
with with
link to 3D link to
VRML 2D picture
Si6TiO15 PCOD3200086 0.0182 2644.37 10.59
Si2TiO7 PCOD3200867 0.0133 998.05 12.02
Si6TiO15 PCOD3200081 0.0182 2152.42 13.01
Si4TiO11 PCOD3200026 0.0175 1535.42 13.03
Si2Ti3O13 PCOD3200037 0.0104 752.37 13.29
Si4TiO11 PCOD3200837 0.0172 1501.95 13.32
Si4Ti3O17 PCOD3200518 0.0194 983.06 14.24
Si6TiO15 PCOD2200205 0.0099 936.76 14.95
Si6TiO15 PCOD2200199 0.0097 468.25 14.95
Si12TiO27 PCOD3200052 0.0107 1710.23 15.20
Si6TiO15 PCOD3200793 0.0112 1839.81 15.22
Si5Ti3O19 PCOD3200046 0.0162 515.55 15.52
Si5TiO13 PCOD3200780 0.0101 1542.47 15.56
Si4TiO11 PCOD3200080 0.0150 1921.07 15.62
Si4TiO11 PCOD3200875 0.0160 1280.28 15.62
Si6TiO15 PCOD3200301 0.0154 894.44 15.65
Si8TiO19 PCOD3200319 0.0142 1139.96 15.79
Si4TiO11 PCOD3200843 0.0177 1253.09 15.96
Si6TiO15 PCOD3200844 0.0200 1744.46 16.05
Si4TiO11 PCOD3200625 0.0147 1234.90 16.20
Si5Ti4O22 PCOD3200004 0.0101 555.16 16.21
Si2TiO7 PCOD2200042 0.0057 737.14 16.28
Si2TiO7 PCOD2200044 0.0057 735.00 16.33
Si5TiO13 PCOD3200486 0.0137 1468.65 16.34
Si11Ti2O28 PCOD3200233 0.0189 791.48 16.42
Si4TiO11 PCOD3200829 0.0112 1216.73 16.44
Si8Ti3O25 PCOD2200156 0.0088 665.82 16.52
SiTi05 PCOD2200079 0.0067 968.26 16.52
SiTiO5 PCOD2200157 0.0089 483.91 16.53
Si4TiO11 PCOD2200190 0.0096 1205.13 16.60
Si8TiO19 PCOD3200041 0.0182 542.25 16.60
Si8TiO19 PCOD3200034 0.0183 541.32 16.63
Si8TiO19 PCOD3200756 0.0118 1080.81 16.65
Si4TiO11 PCOD2200127 0.0082 1200.29 16.66
Si3TiO9 PCOD3200714 0.0121 954.50 16.76
The CIFs can be obtained from PCOD, using the entry number
as keyword.
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