data_PCOD5000713
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5000713 R =  0.0094
Probable space group: P C C M
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z    4
_cell_length_a          9.2567
_cell_length_b         19.0109
_cell_length_c          5.1858
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume           912.59
_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      0.18780   0.93322   0.01041
V2      0.81290   0.07177   0.00812
V3      0.80723   0.93723   0.50710
V4      0.19471   0.06252   0.50999
V5     -0.12276   0.83058   0.00478
V6      0.12873  -0.82845   0.00931
V7      0.10629   0.82691   0.50698
V8     -0.10017  -0.82469   0.51011
O1     -0.00310   0.90752   0.00641
O2      0.22027   0.86678   0.25876
O3      0.14862   0.99799   0.26212
O4      0.21843   0.86712  -0.24135
O5      0.15022   0.99909  -0.23741
O6      0.80024   0.00460   0.25756
O7      1.00437   0.09653   0.00751
O8      0.78400   0.13843   0.25817
O9      0.80022   0.00471  -0.24306
O10      0.78231   0.13872  -0.24017
O11      0.76845   0.87173   0.25689
O12      0.99499   0.90670   0.50708
O13      0.76665   0.87164   0.75505
O14      0.23510   0.12708   0.25791
O15      0.00771   0.09437   0.51052
O16      0.23552   0.12809   0.75872
O17     -0.00978   0.79055   0.25397
O18     -0.01118   0.78983  -0.24479
O19      0.01786  -0.78818   0.26098
O20      0.01694  -0.78770  -0.24041
#
#_symmetry_space_group_name_H-M  P C C M
#_symmetry_Int_Tables_number   49
#
#   Starting Wyckoff positions:
#
#    1     4q     0.1919   0.9409   0.0000
#    2     4q    -0.0942   0.8200   0.0000
#
#   Coordination Sequence :
#
# PCOD5000713 V2O5            R =  0.0094   49
#   2
#   4  4
#    5  11  11   8   8   8   8   0   0   0
#    5   9  13   8   8   8   8   0   0   0
#
#_framework_density    8.77
#
