data_PCOD5000323
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5000323 R =  0.0101
Probable space group: C M M M
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z   6
_cell_length_a          5.0807
_cell_length_b         11.4518
_cell_length_c         17.8504
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1038.59
_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     -0.00442   0.65350   0.18665
V2     -0.00380   0.35030   0.18237
V3     -0.00628   0.65374   0.81033
V4     -0.00288   0.35077   0.80901
V5      0.50081   0.15201   0.18249
V6      0.50160   0.84942   0.18772
V7      0.50416   0.15515   0.80931
V8      0.49985   0.85180   0.80834
V9      0.00205   0.00337  -0.10352
V10      0.00100  -0.00332   0.09510
V11      0.48632   0.50079  -0.10297
V12      0.48766   0.50487   0.09755
O1      0.00126   0.50079   0.21733
O2      0.25502   0.74766   0.22549
O3      0.23272   0.61530   0.11297
O4     -0.24533   0.75383   0.22855
O5     -0.26396   0.61542   0.11951
O6      0.25390   0.25391   0.21982
O7      0.23511   0.39267   0.11029
O8     -0.24595   0.24852   0.22214
O9     -0.26269   0.39349   0.11622
O10      0.00182   0.50262   0.77668
O11      0.24675   0.75171   0.77203
O12     -0.25359   0.75162   0.76917
O13      0.23708   0.61386   0.88185
O14     -0.26108   0.61064   0.87778
O15      0.26308   0.25929   0.77140
O16     -0.23697   0.24668   0.76770
O17      0.22769   0.39154   0.88388
O18     -0.26860   0.38919   0.87410
O19      0.25121   0.10826   0.11375
O20      0.74967   0.10792   0.11342
O21      0.50207   0.00215   0.21837
O22      0.25233   0.88754   0.11731
O23      0.74970   0.88713   0.11685
O24      0.50131   0.00379   0.77614
O25      0.25113   0.11506   0.87827
O26      0.74803   0.11385   0.88046
O27      0.25601   0.89306   0.87956
O28      0.75290   0.89181   0.87710
O29      0.00485   0.03832  -0.00380
O30      0.41682   0.50530  -0.00269
#
#_symmetry_space_group_name_H-M  C M M M
#_symmetry_Int_Tables_number   65
#
#   Starting Wyckoff positions:
#
#    1     8n     0.0000   0.6478   0.1760
#    2     4k     0.0000   0.0000  -0.1054
#
#   Coordination Sequence :
#
# PCOD5000323  V2O5           R =  0.0101   65
#   2
#   8  4
#    5  13  25  39  48  59  70  81   0   0
#    5  12  26  36  48  58  70  80   0   0
#
#_framework_density   11.55
#
