data_PCOD5000257
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5000257 R =  0.0127
Probable space group: P M M M
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z   2
_cell_length_a         13.0791
_cell_length_b          9.2529
_cell_length_c          3.6457
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume           441.20
_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      0.12294   0.00140  -0.01248
V2      0.86019   0.00710  -0.00350
V3     -0.01338  -0.30326  -0.01984
V4     -0.00208   0.30409  -0.00681
O1      0.10429  -0.19537  -0.01721
O2      0.11725   0.19947  -0.01046
O3     -0.01748   0.01102  -0.01115
O4      0.12246   0.00139   0.48728
O5      0.87076  -0.19130  -0.01317
O6      0.87685   0.20427  -0.00540
O7      0.86076   0.00678   0.49600
O8     -0.02068  -0.50024  -0.01380
O9     -0.01350  -0.30305   0.48037
O10     -0.00169   0.30327   0.49297
#
#_symmetry_space_group_name_H-M  P M M M
#_symmetry_Int_Tables_number   47
#
#   Starting Wyckoff positions:
#
#    1     2i     0.1281   0.0000   0.0000
#    2     2m     0.0000  -0.3000   0.0000
#
#   Coordination Sequence :
#
# PCOD5000257  V2O5           R =  0.0127   47
#   2
#   2  2
#    5  10  16  22   0   0   0   0   0   0
#    5  11  16  21   0   0   0   0   0   0
#
#_framework_density    9.07
#
