data_PCOD5000595
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5000595 R =  0.0109
Probable space group: P M M 2
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z    5
_cell_length_a          7.1665
_cell_length_b          7.1553
_cell_length_c         16.7525
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume           859.04
_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      0.50607   0.00496   0.17886
V2      0.26146   0.23952   0.03868
V3     -0.24585  -0.24967   0.04629
V4      0.26350  -0.25098   0.04483
V5     -0.24754   0.24026   0.03987
V6      0.50581  -0.00468   0.39809
V7      0.25359   0.24018   0.53295
V8     -0.25552  -0.25292   0.53564
V9      0.25370  -0.25026   0.53277
V10     -0.25561   0.23750   0.53741
O1      0.33326   0.17371   0.13994
O2      0.33599  -0.17138   0.14440
O3      0.50561   0.00189   0.28846
O4      0.67877  -0.16956   0.14516
O5      0.67803   0.17485   0.14065
O6      0.26477  -0.00776   0.01079
O7      0.00708   0.23132   0.04202
O8      0.50742   0.25613   0.00997
O9      0.24995   0.49426   0.04205
O10      0.00896  -0.24156   0.04887
O11     -0.24866  -0.00702   0.01186
O12     -0.49070  -0.26752   0.01622
O13     -0.23395  -0.50497   0.04312
O14      0.33330   0.16817   0.43337
O15      0.33124  -0.17585   0.43322
O16      0.67461  -0.17868   0.43515
O17      0.67666   0.16665   0.43639
O18      0.25007  -0.00514   0.56372
O19     -0.00109   0.23790   0.53557
O20      0.49733   0.25095   0.56514
O21      0.24948   0.49494   0.52751
O22     -0.00079  -0.25063   0.53230
O23     -0.25234  -0.00863   0.56742
O24     -0.50199  -0.26451   0.56387
O25     -0.24952  -0.50757   0.53293
#
#_symmetry_space_group_name_H-M  P M M 2
#_symmetry_Int_Tables_number   25
#
#   Starting Wyckoff positions:
#
#    1     1c     0.5000   0.0000   0.1939
#    2     4i     0.2757   0.2279   0.0161
#    3     1c     0.5000   0.0000   0.4171
#    4     4i     0.2532   0.2525   0.5377
#
#   Coordination Sequence :
#
# PCOD5000595 V2O5            R =  0.0109   25
#   2
#   2  8
#    5  12  24  36  44  56  64  76   0   0
#    5  11  21  35  46  55  65  75   0   0
#
#_framework_density   11.64
#
