data_PCOD1531957
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB5O10         PCOD1531957 R =  0.0140
Probable space group: P M M 2
;
_chemical_formula_sum  "V B5 O10"
_cell_formula_units_Z    2
_cell_length_a         14.8382
_cell_length_b         12.9039
_cell_length_c         12.3245
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2359.78
_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      0.00044   0.86757   0.83900
V2     -0.00123   0.13067   0.83913
B3     -0.13597  -0.00268   0.94789
B4      0.13726   0.00140   0.94313
B5     -0.24781  -0.00161   0.78368
B6      0.24914   0.00398   0.78027
B7     -0.16338   0.13618   0.67702
B8      0.15527  -0.13490   0.67506
B9     -0.15772  -0.13607   0.67557
B10      0.16214   0.13947   0.68026
B11      0.09071   0.00448   0.54715
B12     -0.09273   0.00303   0.54501
O1     -0.00018   0.99936   0.78297
O2     -0.08448   0.90833   0.93805
O3      0.09037   0.90938   0.93111
O4      0.08570   0.83003   0.73932
O5     -0.08924   0.83249   0.74385
O6     -0.08660   0.08786   0.93784
O7      0.08210   0.08785   0.94067
O8     -0.09664   0.16281   0.74964
O9      0.09751   0.16389   0.75625
O10     -0.21494  -0.00242   0.88865
O11      0.21683   0.00894   0.88537
O12     -0.23666   0.08864   0.72507
O13     -0.23126  -0.09121   0.72552
O14      0.22632  -0.08620   0.72642
O15      0.23961   0.09431   0.72099
O16     -0.13372   0.09242   0.58132
O17      0.12869  -0.08801   0.57953
O18     -0.12926  -0.08884   0.58102
O19      0.12942   0.09410   0.58666
O20     -0.00087   0.00558   0.52926
#
#_symmetry_space_group_name_H-M  P M M 2
#_symmetry_Int_Tables_number   25
#
#   Starting Wyckoff positions:
#
#    1     2g     0.0000   0.8509   0.8440
#    2     2e    -0.1537   0.0000   0.9861
#    3     2e    -0.2540   0.0000   0.7644
#    4     4i    -0.1773   0.1678   0.6502
#    5     2e     0.0956   0.0000   0.5549
#
#   Coordination Sequence :
#
# PCOD1531957 VB5O10          R =  0.0140   25
#   4
#   2  4  2  4
#    5   6   0   0   0   0   0   0   0   0
#    3   5   3   0   0   0   0   0   0   0
#    3   3   4   1   0   0   0   0   0   0
#    3   6   2   0   0   0   0   0   0   0
#
#_framework_density    5.09
#
