data_PCOD1534200
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2B4O11        PCOD1534200 R =  0.0090
Probable space group: P -4 2 C
;
_chemical_formula_sum  "V2 B4 O11"
_cell_formula_units_Z    2
_cell_length_a         16.3792
_cell_length_b         16.3792
_cell_length_c          7.6065
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2040.66
_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      0.11203  -0.00144   0.25231
V2      0.89033   0.00045   0.24527
V3      0.00189   0.89394   0.75884
V4     -0.00046   0.11168   0.75021
B5      0.05646  -0.16592   0.13285
B6     -0.05675   0.16812   0.12735
B7     -0.16727  -0.05115  -0.12956
B8      0.16721   0.05505  -0.12246
B9     -0.05386  -0.16071   0.37499
B10      0.05304   0.16564   0.37251
B11      0.16674  -0.05427   0.63577
B12     -0.16431   0.05752   0.62349
O1      0.11345  -0.10885   0.18558
O2      0.16295   0.02737   0.04799
O3      0.10623   0.10587   0.31690
O4      0.15602  -0.02855   0.46501
O5      0.00122  -0.00173   0.22399
O6      0.89003   0.10835   0.18330
O7      0.83606  -0.02449   0.04217
O8      0.88978  -0.10774   0.30242
O9      0.84448   0.02625   0.45665
O10      0.00050   1.00216   0.70271
O11     -0.02370   0.86480   0.53444
O12      0.11036   0.89083   0.70039
O13      0.02513   0.84265   0.96605
O14     -0.10633   0.89693   0.81497
O15      0.02970   0.16190   0.54585
O16     -0.10735   0.11377   0.67947
O17     -0.02871   0.16063   0.95734
O18      0.10591   0.10622   0.82121
O19      0.00224  -0.19300   0.25906
O20     -0.00165   0.19565   0.25077
O21     -0.19500   0.00475  -0.25116
O22      0.19780   0.00137  -0.24575
#
#_symmetry_space_group_name_H-M  P -4 2 C
#_symmetry_Int_Tables_number  112
#
#   Starting Wyckoff positions:
#
#    1     4g     0.1100   0.0000   0.2500
#    2     8n     0.0779  -0.1842   0.1320
#
#   Coordination Sequence :
#
# PCOD1534200 V2B4O11         R =  0.0090  112
#   2
#   4  8
#    5  10   8   8   8   8   8   8   8   0
#    3   9  11   8   8   8   8   8   8   0
#
#_framework_density    5.88
#
