data_PCOD1533233
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2B12O23       PCOD1533233 R =  0.0084
Probable space group: P M M M
;
_chemical_formula_sum  "V2 B12 O23"
_cell_formula_units_Z    1
_cell_length_a         12.7010
_cell_length_b         11.8996
_cell_length_c         11.3324
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1712.75
_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      0.00015   0.34922   0.49844
V2     -0.00192   0.65521   0.50147
B3      0.13824   0.61357   0.28376
B4     -0.14362  -0.60715   0.27727
B5     -0.13566   0.61452  -0.27217
B6      0.12942  -0.60880  -0.27642
B7     -0.13388  -0.60796  -0.28001
B8      0.13117   0.61922  -0.27942
B9      0.13703  -0.60807   0.28460
B10     -0.13794   0.61149   0.28063
B11     -0.00614  -0.66784   0.12208
B12      0.00637   0.67411   0.12199
B13     -0.00067  -0.67673  -0.11716
B14     -0.00063   0.69236  -0.11872
O1      0.00768   0.50241   0.50075
O2     -0.09776   0.35796   0.38124
O3      0.10621   0.34437   0.38999
O4      0.09745   0.34589   0.61766
O5     -0.10473   0.35623   0.60920
O6      0.09677   0.66101   0.38418
O7     -0.10638   0.64775   0.39055
O8     -0.10022   0.64959   0.61916
O9      0.10234   0.66216   0.61232
O10      0.10097   0.65346   0.17745
O11      0.16862   0.50256   0.28873
O12     -0.10246  -0.65421   0.17602
O13     -0.17574  -0.49656   0.27164
O14     -0.09375   0.66588  -0.17422
O15     -0.16285   0.50255  -0.26493
O16      0.09347  -0.65953  -0.17479
O17      0.14801  -0.49490  -0.27273
O18     -0.09017  -0.66109  -0.18363
O19      0.09024   0.67168  -0.18111
O20      0.08323  -0.64300   0.18563
O21     -0.08417   0.65389   0.18483
O22     -0.00314  -0.65559   0.00177
O23      0.00304   0.69120   0.00238
#
#_symmetry_space_group_name_H-M  P M M M
#_symmetry_Int_Tables_number   47
#
#   Starting Wyckoff positions:
#
#    1     2n     0.0000   0.3590   0.5000
#    2     8A     0.1416   0.6232   0.2657
#    3     4u     0.0000  -0.6641   0.1305
#
#   Coordination Sequence :
#
# PCOD1533233 V2B12O23        R =  0.0084   47
#   3
#   2  8  4
#    5   6   4   6   6   6   6   4   6   0
#    3   6   7   5   6   6   5   6   5   0
#    3   5   7   7   5   5   6   6   6   0
#
#_framework_density    8.17
#
