data_PCOD5000784
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5000784 R =  0.0122
Probable space group: I M M M
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z   10
_cell_length_a         14.1325
_cell_length_b         17.8994
_cell_length_c          7.1434
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1807.02
_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      0.62578   0.27692   0.74775
V2      0.37506   0.73423   0.74370
V3      0.37789   0.26793   0.25526
V4      0.63069   0.73197   0.25448
V5      0.38261   0.73693   0.25023
V6      0.62648   0.27501   0.25409
V7      0.62436   0.73172   0.74573
V8      0.37539   0.27090   0.74625
V9      0.12833   0.75922   0.23841
V10      0.87723   0.23253   0.24382
V11      0.87700   0.76415   0.75149
V12      0.12414   0.22596   0.75763
V13      0.87474   0.22996   0.75395
V14      0.12387   0.76263   0.74727
V15      0.12569   0.22531   0.24781
V16      0.88099   0.76138   0.24205
V17     -0.00388   0.09784   0.00286
V18      0.00425  -0.10814   0.00082
V19      0.49942   0.60626   0.49506
V20      0.49658   0.40115   0.49693
O1      0.62114   0.24722   0.50181
O2      0.50140   0.24886   0.77200
O3      0.75481   0.26825   0.73229
O4      0.58504   0.36930   0.66975
O5      0.63135   0.28090   0.99817
O6      0.38828   0.76363   0.49787
O7      0.50018   0.75810   0.77509
O8      0.25254   0.76650   0.72669
O9      0.41098   0.64057   0.66538
O10      0.37304   0.73225   0.99514
O11      0.50322   0.24450   0.23258
O12      0.38397   0.24009   0.50194
O13      0.25183   0.24595   0.26290
O14      0.41107   0.36314   0.32575
O15      0.36980   0.27352   0.00023
O16      0.50744   0.76127   0.22332
O17      0.61927   0.76095   0.50015
O18      0.75192   0.76778   0.25961
O19      0.58914   0.63925   0.32633
O20      0.64109   0.72441  -0.00039
O21      0.25360   0.73747   0.26558
O22      0.41528   0.64162   0.31826
O23      0.74835   0.24081   0.25249
O24      0.58477   0.36786   0.32497
O25      0.75353   0.73493   0.72486
O26      0.58522   0.63840   0.67249
O27      0.24681   0.25815   0.73160
O28      0.41051   0.36480   0.66882
O29      0.11710   0.76000   0.49247
O30      0.00412   0.72988   0.23078
O31      0.09131   0.85343   0.16780
O32      0.13798   0.73415  -0.00881
O33      0.87925   0.22924   0.49869
O34      1.00283   0.25804   0.25055
O35      0.91118   0.13784   0.17258
O36      0.87302   0.26061  -0.00181
O37      0.88778   0.76253   0.49682
O38      1.00031   0.73264   0.75905
O39      0.86761   0.73523   0.99668
O40      0.91620   0.85667   0.83087
O41      0.12057   0.22142   0.50284
O42      0.00043   0.25632   0.75124
O43      0.12970   0.25465   1.00284
O44      0.08376   0.13325   0.83272
O45      0.91051   0.13615   0.83186
O46      0.08932   0.85632   0.82524
O47      0.08407   0.13280   0.17374
O48      0.91851   0.85543   0.17263
O49      0.00001  -0.00513   0.00215
O50      0.49839   0.50366   0.49595
#
#_symmetry_space_group_name_H-M  I M M M
#_symmetry_Int_Tables_number   71
#
#   Starting Wyckoff positions:
#
#    1    16o     0.6387   0.2598   0.7368
#    2     4g     0.0000   0.0966   0.0000
#
#   Coordination Sequence :
#
# PCOD5000784 V2O5            R =  0.0122   71
#   2
#  16  4
#    5  11  21  37  61  87 119 160   0   0
#    5  12  26  38  64 100 127 152   0   0
#
#_framework_density   11.07
#
