data_PCOD1533223
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB7O13         PCOD1533223 R =  0.0146
Probable space group: P M M M
;
_chemical_formula_sum  "V B7 O13"
_cell_formula_units_Z    2
_cell_length_a          8.0698
_cell_length_b         13.8927
_cell_length_c         17.7419
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1989.06
_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      0.50061  -0.00264   0.39014
V2      0.50556   0.00681   0.59394
B3      0.29941   0.19433   0.56859
B4     -0.29218  -0.17058   0.56703
B5     -0.30260   0.18779  -0.57603
B6      0.29884  -0.18118  -0.57194
B7     -0.30337  -0.18236  -0.58125
B8      0.29254   0.17931  -0.57825
B9      0.30706  -0.17974   0.57507
B10     -0.29198   0.18669   0.56910
B11     -0.00479   0.17960  -0.62344
B12      0.00227  -0.18388  -0.61468
B13     -0.00177   0.18104   0.62060
B14      0.00030  -0.18319   0.61555
B15      0.01326  -0.00122  -0.57321
B16     -0.01904  -0.00233   0.58075
O1      0.51870  -0.01607   0.49236
O2      0.33786  -0.09553   0.39321
O3      0.33381   0.08585   0.40376
O4      0.64110   0.10139   0.39590
O5      0.64295  -0.10462   0.37685
O6      0.37366   0.11465   0.59994
O7      0.35643  -0.09250   0.60418
O8      0.66373  -0.08797   0.60539
O9      0.67960   0.09135   0.58665
O10      0.14585   0.22006   0.59599
O11      0.33208   0.21042   0.49345
O12     -0.14619  -0.21658   0.58509
O13     -0.34750  -0.18140   0.49393
O14     -0.15259   0.22181  -0.60293
O15     -0.33928   0.21252  -0.50270
O16      0.14902  -0.22359  -0.58986
O17      0.35372  -0.19455  -0.49905
O18     -0.15118  -0.22207  -0.59815
O19      0.14873   0.21807  -0.60755
O20      0.15425  -0.21691   0.59481
O21     -0.14748   0.22483   0.59777
O22     -0.00887   0.08091  -0.61496
O23      0.00618  -0.08458  -0.61456
O24     -0.00629   0.08205   0.62056
O25     -0.00231  -0.08434   0.62326
O26     -0.00490  -0.00275  -0.49631
#
#_symmetry_space_group_name_H-M  P M M M
#_symmetry_Int_Tables_number   47
#
#   Starting Wyckoff positions:
#
#    1     2s     0.5000   0.0000   0.4053
#    2     8A     0.3096   0.2142   0.5880
#    3     4u     0.0000   0.2065  -0.6068
#    4     2q     0.0000   0.0000  -0.5695
#
#   Coordination Sequence :
#
# PCOD1533223 VB7O13          R =  0.0146   47
#   4
#   2  8  4  2
#    5   8  10   8   6   8  10   8   6   0
#    3   7   9  10   9   8   8   8   8   0
#    3   6  10  10  10   8   6   8  10   0
#    3   6   6   6   8  10   8   6   8   0
#
#_framework_density    8.04
#
