data_PCOD1534319
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V10B32O73      PCOD1534319 R =  0.0127
Probable space group: P 4/M M M
;
_chemical_formula_sum  "V10 B32 O73"
_cell_formula_units_Z    1
_cell_length_a         14.8287
_cell_length_b         14.8287
_cell_length_c         17.9822
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3954.10
_symmetry_space_group_name_H-M   "P 1"
_symmetry_Int_Tables_number  1
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
V1     -0.00277  -0.00187   0.59877
V2     -0.00086   0.00084   0.39574
V3     -0.22506  -0.00821   0.68167
V4      0.22002  -0.00367   0.67961
V5      0.00862  -0.22830   0.67677
V6     -0.00080   0.21614   0.67413
V7      0.22271   0.00261  -0.68025
V8     -0.22219   0.00534  -0.67601
V9     -0.00357   0.22127  -0.67407
V10      0.00322  -0.21782  -0.68028
B11      0.31974   0.14251   0.57779
B12     -0.31142  -0.14359   0.57527
B13     -0.14572   0.32585   0.57828
B14      0.14575  -0.32244   0.56879
B15     -0.29875   0.14862  -0.57428
B16      0.32300  -0.14243  -0.57780
B17      0.13746   0.33229  -0.57566
B18     -0.13893  -0.31511  -0.57658
B19     -0.32894  -0.13760  -0.57653
B20      0.31330   0.14682  -0.57417
B21      0.14562  -0.31927  -0.58375
B22     -0.14378   0.32029  -0.57452
B23      0.31189  -0.13958   0.57454
B24     -0.30793   0.13511   0.57649
B25     -0.14224  -0.31402   0.57563
B26      0.13821   0.32129   0.57667
B27     -0.27470  -0.28061   0.65432
B28      0.27247   0.27962   0.65209
B29      0.28036  -0.27704   0.65262
B30     -0.27736   0.27495   0.65834
B31      0.27683   0.28492  -0.65228
B32     -0.28245  -0.27229  -0.65464
B33     -0.27447   0.28702  -0.65603
B34      0.27914  -0.27802  -0.65828
B35     -0.16975  -0.18975   0.74810
B36      0.17681   0.17597   0.74811
B37      0.18764  -0.18036   0.75117
B38     -0.17975   0.17889   0.75056
B39      0.18763   0.18005  -0.74602
B40     -0.19002  -0.17331  -0.74690
B41     -0.18641   0.18213  -0.74968
B42      0.18410  -0.17359  -0.75282
O1     -0.00632  -0.01511   0.49667
O2     -0.10640  -0.00808   0.65488
O3      0.11235   0.01727   0.63337
O4      0.01336  -0.11865   0.63136
O5     -0.01647   0.12081   0.61098
O6      0.11941  -0.01095   0.37446
O7     -0.09974   0.01144   0.33467
O8      0.01563   0.12262   0.38487
O9     -0.01358  -0.12108   0.38160
O10     -0.24615  -0.09071   0.60747
O11     -0.24885   0.07525   0.60875
O12     -0.20663  -0.10482   0.74390
O13     -0.20303   0.08954   0.74223
O14      0.27328   0.08032   0.61945
O15      0.24673  -0.08851   0.60920
O16      0.19709   0.08522   0.74738
O17      0.21559  -0.09143   0.75079
O18      0.07531  -0.27574   0.59988
O19     -0.08807  -0.25866   0.61761
O20     -0.07695  -0.19097   0.74345
O21      0.09553  -0.19178   0.74346
O22     -0.07978   0.28180   0.61767
O23      0.08840   0.25518   0.61135
O24      0.08574   0.19525   0.74473
O25     -0.08977   0.20125   0.74386
O26      0.27867  -0.07922  -0.61983
O27      0.25915   0.08952  -0.61438
O28      0.21477   0.09111  -0.75100
O29      0.21342  -0.08513  -0.75188
O30     -0.23459   0.09319  -0.60538
O31     -0.28037  -0.07251  -0.61357
O32     -0.21315  -0.08307  -0.74619
O33     -0.21602   0.09397  -0.74675
O34      0.07017   0.28827  -0.61366
O35     -0.09297   0.25463  -0.60873
O36      0.09845   0.19235  -0.72669
O37     -0.09529   0.19491  -0.73945
O38     -0.06762  -0.28675  -0.61894
O39      0.09515  -0.25286  -0.61773
O40     -0.10092  -0.18944  -0.73033
O41      0.09242  -0.18731  -0.74668
O42      0.32929   0.22683   0.60934
O43      0.31792   0.13645   0.50160
O44     -0.32911  -0.21932   0.61724
O45     -0.32439  -0.14217   0.49986
O46     -0.22636   0.33353   0.61586
O47     -0.14627   0.32335   0.50180
O48      0.22344  -0.32977   0.61011
O49      0.14982  -0.32429   0.49250
O50     -0.32094   0.22655  -0.61148
O51     -0.31512   0.14045  -0.49948
O52      0.33120  -0.22544  -0.61155
O53      0.31793  -0.13786  -0.50160
O54      0.21733   0.34001  -0.61433
O55      0.13707   0.32790  -0.49943
O56     -0.22137  -0.31950  -0.61180
O57     -0.13414  -0.31140  -0.50047
O58     -0.33999  -0.21792  -0.61419
O59      0.32735   0.23056  -0.60558
O60      0.22388  -0.33883  -0.62202
O61     -0.21891   0.34369  -0.61547
O62      0.33285  -0.21858   0.61141
O63     -0.32473   0.21220   0.61706
O64     -0.22500  -0.33397   0.60601
O65      0.21875   0.33861   0.61237
O66     -0.22355  -0.25358   0.71456
O67      0.23293   0.23511   0.71130
O68      0.24334  -0.24184   0.71677
O69     -0.23926   0.24216   0.72295
O70      0.24624   0.24213  -0.71554
O71     -0.25155  -0.23500  -0.72015
O72     -0.24039   0.24912  -0.72034
O73      0.23991  -0.23468  -0.71789
#
#_symmetry_space_group_name_H-M  P 4/M M M
#_symmetry_Int_Tables_number  123
#
#   Starting Wyckoff positions:
#
#    1     2g     0.0000   0.0000   0.6055
#    2     8s    -0.2232   0.0000   0.6761
#    3    16u     0.3211   0.1328   0.5705
#    4     8r    -0.2737  -0.2737   0.6594
#    5     8r    -0.1965  -0.1965   0.7773
#
#   Coordination Sequence :
#
# PCOD1534319 V10B32O73       R =  0.0127  123
#   5
#   2  8 16  8  8
#    5  16  16   4   0   0   0   0   0   0
#    5   8  14  12   2   0   0   0   0   0
#    3   7   9  11   9   2   0   0   0   0
#    3   4   8  10   9   6   1   0   0   0
#    3   7   9  12   9   1   0   0   0   0
#
#_framework_density   10.62
#
