data_PCOD1533907
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB3O7          PCOD1533907 R =  0.0110
Probable space group: P 4/M M M
;
_chemical_formula_sum  "V B3 O7"
_cell_formula_units_Z    8
_cell_length_a         18.9669
_cell_length_b         18.9669
_cell_length_c         12.2607
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          4410.71
_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      0.28315   0.37587  -0.00256
B2      0.71240   0.62361   0.00098
B3      0.61999   0.28698  -0.00259
B4      0.36414   0.72751   0.00060
B5      0.72393   0.36395   0.00229
B6      0.28620   0.62555   0.00228
B7      0.38250   0.29270  -0.00287
B8      0.63303   0.72323   0.00007
B9      0.27839   0.43806  -0.19886
B10     -0.28438  -0.43389  -0.18964
B11     -0.42893   0.28010  -0.20540
B12      0.43203  -0.27279  -0.19465
B13     -0.27482   0.43511   0.19490
B14      0.28252  -0.42894   0.19693
B15      0.43220   0.28351   0.19534
B16     -0.43220  -0.27761   0.19509
B17     -0.27684  -0.43091   0.19862
B18      0.27668   0.43892   0.19712
B19      0.43212  -0.27378   0.19829
B20     -0.43630   0.28212   0.19174
B21      0.28016  -0.42942  -0.19717
B22     -0.27596   0.43135  -0.19586
B23     -0.43253  -0.27366  -0.19795
B24      0.43868   0.28221  -0.20175
V25     -0.40307  -0.40210  -0.35601
V26      0.40637   0.40846  -0.35539
V27      0.40685  -0.40113  -0.35361
V28     -0.40295   0.40735  -0.35823
V29      0.40458   0.40790   0.35365
V30     -0.40234  -0.40307   0.35331
V31     -0.40401   0.40622   0.35041
V32      0.40751  -0.40250   0.35621
O1      0.31171   0.30898  -0.00709
O2      0.29310   0.41602  -0.09469
O3      0.28820   0.40843   0.09706
O4      0.70054   0.69562  -0.00095
O5      0.68980   0.58913  -0.09124
O6      0.69874   0.59187   0.09932
O7      0.69133   0.29915   0.00944
O8      0.59282   0.30166  -0.10389
O9      0.57929   0.30277   0.08723
O10      0.29759   0.69744  -0.00111
O11      0.40267   0.71699  -0.09336
O12      0.39848   0.72305   0.09919
O13      0.71828   0.40648   0.09259
O14      0.72092   0.39455  -0.09950
O15      0.30781   0.59368   0.09756
O16      0.29944   0.59063  -0.09385
O17      0.41568   0.30868   0.09330
O18      0.42003   0.30252  -0.09785
O19      0.59552   0.70908   0.09366
O20      0.59793   0.71621  -0.09728
O21      0.32241   0.41813  -0.28242
O22      0.24941   0.50471  -0.20634
O23     -0.31976  -0.41326  -0.28261
O24     -0.25318  -0.49954  -0.18953
O25     -0.41139   0.32018  -0.29519
O26     -0.49559   0.25114  -0.20947
O27      0.41711  -0.31836  -0.27867
O28      0.49990  -0.24632  -0.19619
O29     -0.32011   0.41712   0.27799
O30     -0.24745   0.50252   0.19977
O31      0.32190  -0.41394   0.28895
O32      0.24959  -0.49363   0.19557
O33      0.41072   0.32278   0.28371
O34      0.49760   0.25244   0.20455
O35     -0.41125  -0.31889   0.28113
O36     -0.49919  -0.24967   0.19834
O37     -0.31544  -0.41313   0.28971
O38      0.32102   0.42213   0.28180
O39      0.41490  -0.31918   0.28128
O40     -0.41284   0.32213   0.27765
O41      0.32165  -0.41072  -0.28458
O42     -0.32067   0.41677  -0.28111
O43     -0.41499  -0.31913  -0.28092
O44      0.41647   0.32246  -0.28844
O45     -0.49820  -0.40183  -0.38084
O46     -0.40218  -0.49737  -0.38175
O47     -0.38679  -0.38809  -0.50126
O48      0.50146   0.40850  -0.37944
O49      0.40561   0.50371  -0.37988
O50      0.39206   0.39213  -0.50057
O51      0.39157  -0.38628  -0.49932
O52     -0.38996   0.39180  -0.50389
O53      0.50045   0.40495   0.37326
O54      0.40834   0.50248   0.38183
O55     -0.49724  -0.40041   0.37981
O56     -0.40465  -0.49847   0.37525
#
#_symmetry_space_group_name_H-M  P 4/M M M
#_symmetry_Int_Tables_number  123
#
#   Starting Wyckoff positions:
#
#    1     8p     0.2840   0.3966   0.0000
#    2    16u     0.2846   0.4325  -0.1766
#    3     8r    -0.3987  -0.3987  -0.3546
#
#   Coordination Sequence :
#
# PCOD1533907 VB3O7           R =  0.0110  123
#   3
#   8 16  8
#    3   6   9  16  19  18  14  10  10   0
#    3   7  12  16  17  15  13  12  12   0
#    5  11  15  15  12  10  12  15  15   0
#
#_framework_density    7.26
#
