data_PCOD1530371
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB3O7          PCOD1530371 R =  0.0137
Probable space group: P 4/M M M
;
_chemical_formula_sum  "V B3 O7"
_cell_formula_units_Z    8
_cell_length_a         14.1040
_cell_length_b         14.1040
_cell_length_c          9.7289
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1935.29
_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
B1      0.85075   0.71256   0.48873
B2      0.15312   0.28214   0.50733
B3      0.28883   0.84762   0.49365
B4      0.71778   0.14891   0.51329
B5      0.15229   0.70988   0.51550
B6      0.85576   0.28611   0.49316
B7      0.71335   0.85022   0.50954
B8      0.29304   0.14662   0.49516
B9      0.59792   0.83654   0.71390
B10     -0.58701  -0.83847   0.69839
B11     -0.84032   0.58674   0.71730
B12      0.83896  -0.59590   0.69381
B13     -0.59988   0.83248  -0.71641
B14      0.59637  -0.83998  -0.69278
B15      0.83570   0.59330  -0.71655
B16     -0.84808  -0.59225  -0.68358
B17     -0.59215  -0.83806  -0.70987
B18      0.59063   0.83814  -0.68318
B19      0.83457  -0.59546  -0.71175
B20     -0.83951   0.59242  -0.68993
B21      0.60091  -0.83772   0.71574
B22     -0.58725   0.84185   0.69008
B23     -0.83254  -0.60104   0.71616
B24      0.83645   0.59502   0.68693
V25      0.63052   0.62638  -0.68502
V26     -0.62939  -0.62927  -0.68850
V27     -0.62752   0.62810  -0.68940
V28      0.62652  -0.63051  -0.68896
V29     -0.62738  -0.63004   0.68217
V30      0.62172   0.62714   0.68503
V31      0.62925  -0.62967   0.68300
V32     -0.63523   0.62864   0.68675
O1      0.77765   0.77756   0.49249
O2      0.87854   0.66158   0.60260
O3      0.86887   0.66427   0.36801
O4      0.22665   0.21821   0.49812
O5      0.13534   0.32806   0.63017
O6      0.12059   0.33355   0.39622
O7      0.22494   0.77505   0.51329
O8      0.34525   0.87716   0.60140
O9      0.32836   0.86601   0.36685
O10      0.78417   0.21994   0.50153
O11      0.67513   0.12863   0.63736
O12      0.66106   0.12689   0.40204
O13      0.12906   0.65748   0.63010
O14      0.12887   0.66468   0.39424
O15      0.87956   0.33730   0.60901
O16      0.87153   0.33524   0.37260
O17      0.67505   0.86630   0.63812
O18      0.65238   0.88110   0.40759
O19      0.34634   0.12428   0.60950
O20      0.33714   0.12519   0.37251
O21      0.60880   0.74494   0.76150
O22      0.50750   0.86350   0.67718
O23     -0.61325  -0.75076   0.74882
O24     -0.49197  -0.85841   0.68348
O25     -0.75099   0.60605   0.76828
O26     -0.85768   0.49205   0.69176
O27      0.75144  -0.62203   0.74549
O28      0.85311  -0.50058   0.67117
O29     -0.62333   0.74510  -0.77070
O30     -0.50656   0.84715  -0.67910
O31      0.62125  -0.75361  -0.74881
O32      0.50108  -0.85884  -0.67973
O33      0.74627   0.61291  -0.76737
O34      0.85507   0.49910  -0.69122
O35     -0.75492  -0.60349  -0.72270
O36     -0.87078  -0.49827  -0.66351
O37     -0.61370  -0.74902  -0.75912
O38      0.62944   0.75277  -0.72319
O39      0.74548  -0.61738  -0.76152
O40     -0.75087   0.61050  -0.74381
O41      0.61661  -0.74651   0.76227
O42     -0.61024   0.75258   0.73674
O43     -0.74307  -0.62112   0.76663
O44      0.74765   0.62607   0.72489
O45      0.50153   0.63275  -0.67404
O46      0.62338   0.49810  -0.66482
O47      0.63842   0.64391  -0.49926
O48     -0.50126  -0.63393  -0.65755
O49     -0.61671  -0.50055  -0.67458
O50     -0.64913  -0.63635  -0.50331
O51     -0.63497   0.63399  -0.50214
O52      0.64195  -0.64107  -0.50328
O53     -0.49926  -0.62757   0.65533
O54     -0.62964  -0.50092   0.66918
O55      0.49398   0.62022   0.66960
O56      0.62873   0.49885   0.66168
#
#_symmetry_space_group_name_H-M  P 4/M M M
#_symmetry_Int_Tables_number  123
#
#   Starting Wyckoff positions:
#
#    1     8q     0.8581   0.7359   0.5000
#    2    16u     0.5940   0.8517   0.7357
#    3     8r     0.6344   0.6344  -0.7004
#
#   Coordination Sequence :
#
# PCOD1530371 VB3O7           R =  0.0137  123
#   3
#   8 16  8
#    3   6   7   8   5   2   0   0   0   0
#    3   7   9   8   4   0   0   0   0   0
#    5  11  11   4   0   0   0   0   0   0
#
#_framework_density   16.53
#
