data_PCOD1533623
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB5O10         PCOD1533623 R =  0.0135
Probable space group: P 4/M
;
_chemical_formula_sum  "V B5 O10"
_cell_formula_units_Z    4
_cell_length_a         11.3504
_cell_length_b         11.3504
_cell_length_c         18.1564
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2339.13
_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      0.24882   0.27421   0.39044
B2      0.74885   0.73189   0.39321
B3      0.72641   0.24348   0.39793
B4      0.27061   0.76641   0.38806
B5      0.76193   0.72154   0.60833
B6      0.24756   0.26192   0.60458
B7      0.27034   0.75467   0.60327
B8      0.72923   0.26055   0.61292
B9      0.12658   0.35017   0.50310
B10     -0.12089  -0.35330   0.49690
B11     -0.35052   0.12776   0.50722
B12      0.34585  -0.11451   0.49756
B13      0.41396   0.64653   0.30560
B14     -0.41798  -0.64099   0.31400
B15     -0.64541   0.42157   0.30161
B16      0.64234  -0.41617   0.30668
B17     -0.41568  -0.63693  -0.29138
B18      0.41686   0.64147  -0.30917
B19      0.64278  -0.41076  -0.29991
B20     -0.64195   0.41319  -0.30919
V21      0.71331   0.44355   0.49858
V22     -0.71490  -0.43376   0.49232
V23     -0.44200   0.72527   0.50681
V24      0.44048  -0.71061   0.49500
O1      0.15537   0.29689   0.43707
O2      0.26748   0.35881   0.33701
O3      0.34802   0.22549   0.42256
O4      0.65191   0.77443   0.43071
O5      0.73031   0.64893   0.33887
O6      0.84776   0.71197   0.43578
O7      0.77655   0.34163   0.43056
O8      0.71494   0.14739   0.44428
O9      0.63232   0.26691   0.35190
O10      0.36023   0.74114   0.33909
O11      0.28474   0.86342   0.43309
O12      0.22526   0.66813   0.42285
O13      0.66885   0.77598   0.57317
O14      0.85881   0.70014   0.56416
O15      0.73280   0.63506   0.65852
O16      0.14571   0.28089   0.56446
O17      0.34347   0.22365   0.56454
O18      0.27260   0.34866   0.65549
O19      0.28889   0.85496   0.56183
O20      0.35712   0.72927   0.65411
O21      0.22245   0.66134   0.56452
O22      0.77500   0.35415   0.57354
O23      0.70346   0.16147   0.57180
O24      0.65018   0.28362   0.66875
O25      0.16092   0.46606   0.51020
O26     -0.14866  -0.47176   0.49504
O27     -0.46804   0.15648   0.49883
O28      0.46324  -0.14565   0.49380
O29      0.35161   0.54262   0.30153
O30      0.53452   0.63893   0.30113
O31     -0.35520  -0.53715   0.31013
O32     -0.53697  -0.63338   0.30057
O33     -0.36210  -0.52874  -0.28311
O34     -0.53641  -0.64183  -0.29466
O35      0.36028   0.53413  -0.30850
O36      0.53661   0.64808  -0.29999
O37      0.63835   0.58559   0.50336
O38      0.57072   0.37524   0.52112
O39     -0.62983  -0.56884   0.47438
O40     -0.57433  -0.36519   0.51807
#
#_symmetry_space_group_name_H-M  P 4/M
#_symmetry_Int_Tables_number   83
#
#   Starting Wyckoff positions:
#
#    1     8l     0.2369   0.2516   0.3673
#    2     4k     0.0995   0.3565   0.5000
#    3     8l     0.4227   0.6445   0.3145
#    4     4k     0.6958   0.4594   0.5000
#
#   Coordination Sequence :
#
# PCOD1533623 VB5O10          R =  0.0135   83
#   4
#   8  4  8  4
#    3   6   8   5   1   0   0   0   0   0
#    3   6   9   5   0   0   0   0   0   0
#    3   5   6   5   3   1   0   0   0   0
#    5   9   7   2   0   0   0   0   0   0
#
#_framework_density   10.26
#
