data_PCOD5000709
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5000709 R =  0.0043
Probable space group: P M M M
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z    3
_cell_length_a         15.7802
_cell_length_b          3.6470
_cell_length_c         13.2748
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume           763.98
_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     -0.00633  -0.01405   0.36510
V2     -0.00817  -0.01026   0.63844
V3     -0.11902  -0.00366   0.13521
V4      0.10510  -0.00437   0.13530
V5      0.10310  -0.01023  -0.13090
V6     -0.12075  -0.02174  -0.13171
O1      0.00571  -0.01230   0.50199
O2     -0.08823  -0.00845   0.26801
O3      0.07588  -0.01008   0.26837
O4     -0.00605   0.48655   0.36522
O5     -0.00828   0.48973   0.63879
O6      0.07352  -0.01049   0.73611
O7     -0.09026  -0.01627   0.73562
O8     -0.00690  -0.00486   0.10051
O9     -0.14843  -0.01215   0.00201
O10     -0.11916   0.49614   0.13530
O11      0.13294  -0.00836   0.00187
O12      0.10491   0.49519   0.13550
O13     -0.00889  -0.01605  -0.09648
O14      0.10345   0.48969  -0.13104
O15     -0.12118   0.47902  -0.13139
#
#_symmetry_space_group_name_H-M  P M M M
#_symmetry_Int_Tables_number   47
#
#   Starting Wyckoff positions:
#
#    1     2q     0.0000   0.0000   0.3756
#    2     4w    -0.1081   0.0000   0.1411
#
#   Coordination Sequence :
#
# PCOD5000709 V2O5            R =  0.0043   47
#   2
#   2  4
#    5  12  19  24   0   0   0   0   0   0
#    5  11  17  24   0   0   0   0   0   0
#
#_framework_density    7.85
#
