data_PCOD5000101
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5000101 R =  0.0103
Probable space group: P C
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z   4
_cell_length_a         19.3361
_cell_length_b          9.6442
_cell_length_c          5.1013
_cell_angle_alpha     90.000
_cell_angle_beta     119.406
_cell_angle_gamma     90.000
_cell_volume           828.73
_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      0.59362   0.68329   0.92877
V2      0.59308   0.31308   0.42274
V3      0.40432   0.37474   0.30139
V4      0.40483  -0.36870   0.80344
V5      0.43054   0.13267  -0.14146
V6      0.43382  -0.12623   0.36689
V7      0.70729   0.39165   1.12272
V8      0.71605  -0.39507   1.66253
O1      0.61678   0.49747   0.98600
O2      0.51229   0.65885   1.01006
O3      0.52667   0.77782   0.58547
O4      0.66136   0.71309   1.32850
O5      0.67629   0.70948   0.85670
O6      0.51167   0.34657   0.50064
O7      0.52297   0.23029   0.06838
O8      0.65472   0.26490   0.81804
O9      0.67348   0.28459   0.33790
O10      0.62872   0.49189   0.52322
O11      0.39007   0.22176   0.07009
O12      0.41722   0.52954   0.52676
O13      0.39290   0.27087   0.57651
O14      0.41588   0.47585   0.02289
O15      0.39265  -0.21410   0.57822
O16      0.39653  -0.26526   1.08681
O17      0.44487  -0.02012   0.09284
O18      0.44656   0.02828  -0.40531
O19      0.75390   0.50159   1.46023
O20      0.76636   0.49071   0.99041
#
#_symmetry_space_group_name_H-M  P C
#_symmetry_Int_Tables_number    7
#
#   Starting Wyckoff positions:
#
#    1     2a     0.5996   0.7057   0.9748
#    2     2a     0.4187   0.3785   0.3354
#    3     2a     0.4196   0.1324  -0.1976
#    4     2a     0.7127   0.3616   1.1397
#
#   Coordination Sequence :
#
# PCOD5000101  V2O5           R =  0.0103    7
#   4
#   2  2  2  2
#    5  12  16  25  34  41   0   0   0   0
#    5  14  20  32  43  42   0   0   0   0
#    5  14  25  28  33  50   0   0   0   0
#    5  10  15  23  38  45   0   0   0   0
#
#_framework_density    9.65
#
