data_PCOD1533226
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2B12O23       PCOD1533226 R =  0.0131
Probable space group: P M M M
;
_chemical_formula_sum  "V2 B12 O23"
_cell_formula_units_Z    1
_cell_length_a         12.5989
_cell_length_b         11.5026
_cell_length_c         10.8952
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1578.93
_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      0.32751   0.09907   0.24592
B2      0.66799   0.88562   0.24859
B3      0.67208   0.09763   0.75933
B4      0.33508   0.88918   0.75281
B5      0.67089   0.88073   0.76255
B6      0.33705   0.10716   0.75515
B7      0.33045   0.88466   0.24213
B8      0.66501   0.10291   0.24636
V9      0.35230  -0.00376  -0.00115
V10     -0.36389  -0.00805   0.00391
B11      0.49920   0.81969   0.37801
B12      0.49739  -0.82838   0.37768
B13      0.50465   0.81145  -0.37066
B14      0.50672  -0.82167  -0.37090
O1      0.33624   0.10560   0.11964
O2      0.40401   0.15476   0.31468
O3      0.29669  -0.00936   0.28765
O4      0.59488   0.82539   0.31775
O5      0.69450   0.99523   0.29145
O6      0.65469   0.88142   0.12296
O7      0.70089  -0.01141   0.71746
O8      0.60193   0.15836   0.68685
O9      0.65925   0.10180   0.88499
O10      0.31579   0.99898   0.70575
O11      0.41242   0.82425   0.69553
O12      0.33414   0.88557   0.87962
O13      0.60016   0.82064   0.68971
O14      0.65478   0.87836   0.88778
O15      0.33367   0.10881   0.88197
O16      0.41537   0.17064   0.69778
O17      0.40722   0.82976   0.31078
O18      0.33789   0.88222   0.11561
O19      0.65425   0.10518   0.12032
O20      0.59131   0.16367   0.31414
O21      0.49483   0.02553  -0.00332
O22      0.49900   0.82202   0.50393
O23      0.49920  -0.82773   0.50357
#
#_symmetry_space_group_name_H-M  P M M M
#_symmetry_Int_Tables_number   47
#
#   Starting Wyckoff positions:
#
#    1     8A     0.3001   0.1221   0.2589
#    2     2i     0.3625   0.0000   0.0000
#    3     4v     0.5000   0.7818   0.3670
#
#   Coordination Sequence :
#
# PCOD1533226 V2B12O23        R =  0.0131   47
#   3
#   8  2  4
#    3   6   8   6   8   4   6   6   4   0
#    5   8   4   8   4   8   4   4   8   0
#    3   6   9   7   4   6   6   6   6   0
#
#_framework_density    8.87
#
