data_PCOD5000319
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5000319 R =  0.0068
Probable space group: C M M M
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_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z   6
_cell_length_a         17.9085
_cell_length_b          5.1464
_cell_length_c         12.7663
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1176.60
_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      0.17723   0.01085   0.63340
V2      0.81716   0.01428   0.63470
V3      0.81533   0.01155   0.36386
V4      0.18578   0.00407   0.36146
V5      0.68075   0.51394   0.63527
V6      0.31426   0.50908   0.63681
V7      0.31371   0.52056   0.36542
V8      0.67867   0.51105   0.36481
V9      0.39888   0.01731   0.50037
V10     -0.40324   0.00313   0.50170
V11      0.89961   0.50375   0.49908
V12      0.09974   0.50504   0.49150
O1      0.21353   0.02299   0.49954
O2      0.24540   0.25967   0.67009
O3      0.11073   0.26379   0.59573
O4      0.24545  -0.23987   0.66603
O5      0.11168  -0.24023   0.59036
O6      0.78269   0.02068   0.49969
O7      0.75407   0.28086   0.66772
O8      0.88943   0.24828   0.59794
O9      0.74418  -0.22009   0.66749
O10      0.87965  -0.25340   0.60015
O11      0.74972   0.27124   0.33115
O12      0.88526   0.25629   0.39776
O13      0.74377  -0.22803   0.33194
O14      0.88013  -0.24786   0.39994
O15      0.25063   0.26137   0.32624
O16      0.11499   0.24961   0.39372
O17      0.25041  -0.23776   0.30657
O18      0.11875  -0.25249   0.39047
O19      0.71344   0.51885   0.49959
O20      0.61765   0.24688   0.60195
O21      0.60847   0.74964   0.60094
O22      0.28117   0.49933   0.50120
O23      0.38245   0.25723   0.60365
O24      0.38080   0.76142   0.59753
O25      0.38323   0.27447   0.40292
O26      0.37982   0.77677   0.39849
O27      0.61463   0.25024   0.40173
O28      0.60827   0.75297   0.40087
O29      0.49827   0.09586   0.50349
O30      0.99971   0.43957   0.49128
#
#_symmetry_space_group_name_H-M  C M M M
#_symmetry_Int_Tables_number   65
#
#   Starting Wyckoff positions:
#
#    1     8o     0.1709   0.0000   0.6480
#    2     4h     0.3967   0.0000   0.5000
#
#   Coordination Sequence :
#
# PCOD5000319  V2O5           R =  0.0068   65
#   2
#   8  4
#    5  11  15  24  27  27  36   0   0   0
#    5  12  16  18  26  36  37   0   0   0
#
#_framework_density   10.20
#
