data_PCOD1533244
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2B12O23       PCOD1533244 R =  0.0125
Probable space group: P M M M
;
_chemical_formula_sum  "V2 B12 O23"
_cell_formula_units_Z    1
_cell_length_a         19.3953
_cell_length_b         13.3548
_cell_length_c          8.3783
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2170.15
_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      0.50002   0.49886   0.78138
V2      0.50126   0.50055   0.21289
B3      0.38091   0.37197   0.34572
B4     -0.38070  -0.36818   0.33713
B5     -0.38000   0.37038  -0.34982
B6      0.38117  -0.36898  -0.34844
B7     -0.37985  -0.36982  -0.34985
B8      0.37748   0.37074  -0.34318
B9      0.37862  -0.36814   0.33731
B10     -0.37660   0.36594   0.33940
B11     -0.28200   0.49887   0.34330
B12      0.28194   0.50211   0.34385
B13      0.28146   0.50162  -0.35561
B14     -0.28195   0.50523  -0.35707
O1      0.51213   0.51229   0.99661
O2      0.42931   0.40971   0.75089
O3      0.43929   0.59927   0.73059
O4      0.56007   0.39904   0.72497
O5      0.56998   0.58854   0.74622
O6      0.43509   0.40582   0.25488
O7      0.56571   0.40664   0.26971
O8      0.43642   0.59605   0.26079
O9      0.56677   0.59798   0.24090
O10      0.31728   0.41390   0.31534
O11      0.39404   0.34565   0.50187
O12     -0.31800  -0.41424   0.31037
O13     -0.39670  -0.34761   0.49410
O14     -0.32100   0.42321  -0.31209
O15     -0.38397   0.33537  -0.50426
O16      0.31990  -0.41608  -0.30999
O17      0.38706  -0.33981  -0.50556
O18     -0.31337  -0.40374  -0.32577
O19      0.31277   0.41118  -0.32123
O20      0.31675  -0.41247   0.29721
O21     -0.31489   0.41111   0.30024
O22     -0.25236   0.49758   0.49328
O23      0.25256   0.50790   0.49401
#
#_symmetry_space_group_name_H-M  P M M M
#_symmetry_Int_Tables_number   47
#
#   Starting Wyckoff positions:
#
#    1     2t     0.5000   0.5000   0.7906
#    2     8A     0.3785   0.3479   0.3290
#    3     4x    -0.2820   0.5000   0.3188
#
#   Coordination Sequence :
#
# PCOD1533244 V2B12O23        R =  0.0125   47
#   3
#   2  8  4
#    5  10   9   4   5  10   9   4   5   0
#    3   6   9  11   9   4   5  10   9   0
#    3   3   4   8  11   9   4   5  10   0
#
#_framework_density    6.45
#
