data_PCOD5000273
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5000273 R =  0.0143
Probable space group: P M M A
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z   6
_cell_length_a          9.4952
_cell_length_b         13.7312
_cell_length_c          8.0199
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1045.64
_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      0.43702   0.11952   0.29827
V2      0.06537   0.88724   0.30101
V3      0.57508   0.13417   0.71391
V4      0.93593   0.88100   0.72088
V5      0.55894   0.86695   0.72482
V6      0.95017   0.13271   0.70518
V7      0.43921   0.86728   0.29327
V8      0.07607   0.13318   0.27966
V9      0.24306  -0.14117  -0.08432
V10      0.24944   0.12242  -0.07946
V11     -0.24981  -0.13737   0.08713
V12     -0.23822   0.12687   0.07650
O1      0.52205   0.09895   0.50221
O2      0.25727   0.16015   0.34373
O3      0.39235   0.13463   0.07537
O4      0.61929   0.13097   0.22700
O5      0.44467  -0.01183   0.26207
O6      0.25187   0.86867   0.35237
O7     -0.01570   0.91082   0.50601
O8      0.09755   1.01770   0.27717
O9      0.10863   0.86861   0.07940
O10     -0.11139   0.84506   0.24369
O11      0.76199   0.13487   0.65026
O12      0.59565   0.00719   0.77531
O13      0.38425   0.12454   0.75690
O14      0.64617   0.17576   0.91597
O15      0.74836   0.86725   0.67881
O16      0.91046   1.01030   0.76435
O17      1.11503   0.83676   0.75263
O18      0.89731   0.85232   0.93881
O19      0.47791   0.87745   0.51646
O20      0.38604   0.81570   0.78160
O21      0.59567   0.87475   0.94972
O22      1.03766   0.11946   0.50208
O23      1.12708   0.17491   0.76733
O24      0.90614   0.13560   0.92756
O25      0.37484   0.86803   0.07743
O26      0.63234   0.87025   0.26768
O27      0.08999   0.12193   0.05097
O28     -0.11440   0.14069   0.24898
O29      0.23369  -0.00935  -0.10894
O30     -0.22586  -0.00546   0.09152
#
#_symmetry_space_group_name_H-M  P M M A
#_symmetry_Int_Tables_number   51
#
#   Starting Wyckoff positions:
#
#    1     8l     0.4350   0.1263   0.2764
#    2     4k     0.2500  -0.1409  -0.0996
#
#   Coordination Sequence :
#
# PCOD5000273  V2O5           R =  0.0143   51
#   2
#   8  4
#    5  13  22  30  39  48  56  65  74  82
#    5  12  22  32  38  46  58  66  72  82
#
#_framework_density   11.48
#
