data_PCOD5000195
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5000195 R =  0.0110
Probable space group: P M N 21
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z   6
_cell_length_a         12.2361
_cell_length_b         16.0573
_cell_length_c          7.1225
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1399.41
_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      0.14648   0.54328   0.02792
V2      0.34568   0.45789   0.54650
V3      0.63627   0.45341   0.52779
V4      0.85690   0.54776   0.03244
V5     -0.14903   0.36034   0.27710
V6      0.64147  -0.35970   0.78310
V7      0.34919  -0.35262   0.78649
V8      0.14282   0.35851   0.28935
V9     -0.14900   0.36149   0.77825
V10      0.64248  -0.35804   1.28490
V11      0.35149  -0.35807   1.28673
V12      0.13977   0.35405   0.79174
O1      0.11820   0.46573   0.21207
O2      0.00236   0.57444   0.03785
O3      0.10341   0.45952  -0.13307
O4      0.21074   0.61928  -0.13354
O5      0.21628   0.60374   0.21293
O6      0.49049   0.42929   0.54409
O7      0.27881   0.39437   0.36544
O8      0.27376   0.39634   0.72478
O9      0.37138   0.53772   0.72434
O10      0.37866   0.53508   0.36547
O11      0.71486   0.39709   0.34834
O12      0.71426   0.39674   0.70651
O13      0.61354   0.53340   0.70811
O14      0.61006   0.53442   0.35255
O15      0.88278   0.46787   0.21074
O16      0.77831   0.60490  -0.14471
O17      0.77810   0.60437   0.21169
O18      0.88396   0.46769  -0.14592
O19     -0.00302   0.33705   0.25137
O20     -0.12735   0.33824   0.52814
O21     -0.16765   0.33450   0.02728
O22      0.49606  -0.33569   0.74726
O23      0.61692  -0.33954   1.03365
O24      0.66155  -0.33196   0.53393
O25      0.37726  -0.33558   1.03725
O26      0.32959  -0.33028   0.53514
O27      0.11917   0.33549   0.53879
O28      0.15826   0.32774   0.04174
O29     -0.00635   0.33021   0.81633
O30      0.49702  -0.33436   1.32252
#
#_symmetry_space_group_name_H-M  P M N 21
#_symmetry_Int_Tables_number   31
#
#   Starting Wyckoff positions:
#
#    1     4b     0.1412   0.5401   0.0254
#    2     4b    -0.1585   0.3149   0.2667
#    3     4b    -0.1392   0.3504   0.7958
#
#   Coordination Sequence :
#
# PCOD5000195  V2O5           R =  0.0110   31
#   2
#   4  8
#    5  12  19  26  35  42  49   0   0   0
#    5  12  20  28  34  40  49   0   0   0
#
#_framework_density    8.58
#
