data_PCOD5000258
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5000258 R =  0.0069
Probable space group: P M M M
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z   4
_cell_length_a         16.5646
_cell_length_b         18.8970
_cell_length_c          3.6469
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1141.57
_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      0.39004  -0.00508   0.48428
V2      0.60116   0.00960   0.48021
V3      0.21613   0.09193   0.49927
V4     -0.21524  -0.08515   0.49135
V5     -0.21332   0.10156   0.49390
V6      0.21524  -0.09810   0.49611
V7     -0.00204  -0.09205   0.50462
V8     -0.00062   0.09771   0.50063
O1      0.49807  -0.02534   0.48317
O2      0.32446   0.07295   0.49135
O3      0.32353  -0.08145   0.41381
O4      0.39628   0.00340   0.98394
O5      0.67870  -0.05914   0.48400
O6      0.68004   0.07695   0.48582
O7      0.60093   0.00945   0.98055
O8      0.19589  -0.00300   0.49677
O9      0.10846   0.11219   0.50026
O10      0.21626   0.09215   0.99922
O11     -0.18576   0.00800   0.49236
O12     -0.10961  -0.11242   0.49718
O13     -0.21520  -0.08523   0.99082
O14     -0.10637   0.12509   0.49775
O15     -0.21349   0.10169   0.99361
O16      0.10555  -0.11283   0.50024
O17      0.20765  -0.09932   0.99596
O18      0.01925   0.00255   0.50241
O19     -0.00201  -0.09214   1.00407
O20     -0.00086   0.09768   1.00084
#
#_symmetry_space_group_name_H-M  P M M M
#_symmetry_Int_Tables_number   47
#
#   Starting Wyckoff positions:
#
#    1     2j     0.3787   0.0000   0.5000
#    2     4z     0.2169   0.0907   0.5000
#    3     2n     0.0000  -0.0989   0.5000
#
#   Coordination Sequence :
#
# PCOD5000258  V2O5           R =  0.0069   47
#   3
#   2  4  2
#    5  12  20  27   0   0   0   0   0   0
#    5  11  18  25   0   0   0   0   0   0
#    5  12  18  24   0   0   0   0   0   0
#
#_framework_density    7.01
#
