data_PCOD5000711
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5000711 R =  0.0013
Probable space group: P M M M
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z    2
_cell_length_a          4.9608
_cell_length_b         17.0231
_cell_length_c          5.0903
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume           429.87
_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      0.49277   0.60710  -0.00256
V2      0.49606   0.39795  -0.00391
V3     -0.00711   0.60794   0.49779
V4     -0.00255  -0.60094   0.49608
O1      0.41380   0.50247  -0.01767
O2      0.20005   0.62469   0.20666
O3      0.69970   0.59018   0.28893
O4      0.28642   0.62482  -0.29315
O5      0.78630   0.59026  -0.21147
O6      0.20182   0.38151   0.20383
O7      0.70280   0.41515   0.28788
O8      0.29090   0.38131  -0.29609
O9      0.79027   0.41506  -0.21207
O10      0.07680   0.50356   0.48387
#
#_symmetry_space_group_name_H-M  P M M M
#_symmetry_Int_Tables_number   47
#
#   Starting Wyckoff positions:
#
#    1     2o     0.5000   0.5931   0.0000
#    2     2n     0.0000   0.6033   0.5000
#
#   Coordination Sequence :
#
# PCOD5000711 V2O5            R =  0.0013   47
#   1
#   4
#    5  12  20  28  36  44  52  60   0   0
#
#_framework_density    9.31
#
