data_PCOD1532712
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB7O13         PCOD1532712 R =  0.0143
Probable space group: P 4 M M
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_chemical_formula_sum  "V B7 O13"
_cell_formula_units_Z    4
_cell_length_a         19.8640
_cell_length_b         19.8640
_cell_length_c         12.7427
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          5027.97
_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      0.30932   0.00030   0.86631
B2      0.68986  -0.00093   0.85434
B3      0.00208   0.30753   0.85156
B4      0.00186   0.68839   0.87056
B5      0.27944   0.10955   0.75987
B6     -0.27981  -0.11423   0.75668
B7     -0.11108   0.27744   0.75255
B8      0.10988  -0.27944   0.77212
B9      0.27608  -0.10920   0.76154
B10     -0.27716   0.11077   0.75833
B11     -0.11015  -0.28512   0.76451
B12      0.11311   0.27791   0.75523
B13     -0.06473   0.23799   0.57816
B14      0.06375  -0.24522   0.58702
B15     -0.23644  -0.06961   0.58100
B16      0.24233   0.06825   0.57766
B17     -0.07288  -0.24994   0.58195
B18      0.07165   0.24318   0.57632
B19     -0.23547   0.06775   0.57934
B20      0.23713  -0.07021   0.58093
B21      0.19013  -0.00383   0.94612
B22     -0.19468  -0.00064   0.94294
B23      0.00303   0.19052   0.94282
B24     -0.00336  -0.19103   0.94751
B25      0.12360   0.12236   0.59597
B26     -0.12120  -0.12797   0.61187
B27     -0.11659   0.11737   0.60802
B28      0.12008  -0.12850   0.60314
V29     -0.13878  -0.14072   0.85372
V30      0.13148   0.12796   0.83866
V31      0.12867  -0.13045   0.84854
V32     -0.13277   0.13361   0.85018
O1      0.31484   0.06069   0.81364
O2      0.31267  -0.05908   0.81005
O3      0.25964  -0.00031   0.94223
O4      0.68574  -0.06232   0.80416
O5      0.68508   0.05868   0.79918
O6      0.73615   0.00242   0.93500
O7     -0.05876   0.31167   0.80043
O8      0.06187   0.31593   0.79860
O9      0.00587   0.25932   0.92971
O10      0.06305   0.67988   0.82112
O11     -0.05675   0.68364   0.81332
O12      0.00333   0.74013   0.94319
O13      0.27930   0.10220   0.65236
O14      0.22127   0.13397   0.80422
O15     -0.27435  -0.10776   0.64919
O16     -0.22689  -0.14314   0.80994
O17     -0.10602   0.27399   0.64479
O18     -0.13450   0.22141   0.80393
O19      0.10074  -0.27600   0.66489
O20      0.13088  -0.22169   0.82165
O21      0.27533  -0.10506   0.65355
O22      0.21795  -0.13269   0.80796
O23     -0.27009   0.10686   0.65075
O24     -0.22238   0.13436   0.81334
O25     -0.10808  -0.28607   0.65631
O26     -0.13781  -0.22955   0.81198
O27      0.11123   0.27796   0.64692
O28      0.12991   0.21783   0.80221
O29      0.00299   0.25293   0.57797
O30     -0.08335   0.17154   0.56491
O31     -0.00401  -0.25878   0.57920
O32      0.08720  -0.18239   0.55847
O33     -0.24548  -0.00092   0.58122
O34     -0.17235  -0.09365   0.56189
O35      0.24438  -0.00127   0.57722
O36      0.18149   0.09735   0.55144
O37     -0.09556  -0.18511   0.56629
O38      0.09412   0.17896   0.55385
O39     -0.17128   0.08988   0.55701
O40      0.17517  -0.09822   0.55795
O41      0.15509   0.04505   0.89240
O42      0.16095  -0.06656   0.94102
O43     -0.16564  -0.06064   0.91397
O44     -0.15598   0.05391   0.91496
O45      0.05742   0.15104   0.91833
O46     -0.05864   0.16127   0.92576
O47     -0.06792  -0.16679   0.93843
O48      0.04442  -0.14969   0.90385
O49      0.11271   0.10959   0.70075
O50     -0.11504  -0.11914   0.71876
O51     -0.11247   0.10871   0.71521
O52      0.10976  -0.11668   0.70856
#
#_symmetry_space_group_name_H-M  P 4 M M
#_symmetry_Int_Tables_number   99
#
#   Starting Wyckoff positions:
#
#    1     4e     0.3339   0.0000   0.8482
#    2     8g     0.2730   0.1222   0.7520
#    3     8g    -0.0624   0.2548   0.5817
#    4     4e     0.2144   0.0000   0.9600
#    5     4d     0.1396   0.1396   0.5739
#    6     4d    -0.1223  -0.1223   0.8368
#
#   Coordination Sequence :
#
# PCOD1532712 VB7O13          R =  0.0143   99
#   6
#   4  8  8  4  4  4
#    3   4   6   6   9   3   0   0   0   0
#    3   6   5   8   5   4   0   0   0   0
#    3   5   6   7   7   3   0   0   0   0
#    3   8   8   9   3   0   0   0   0   0
#    3   6   8   6   5   3   0   0   0   0
#    5   6  10   5   5   0   0   0   0   0
#
#_framework_density    6.36
#
