data_PCOD5000719
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5000719 R =  0.0046
Probable space group: P M M A
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z    4
_cell_length_a         10.7044
_cell_length_b          3.6473
_cell_length_c         17.1577
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume           669.88
_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      0.58474   0.50307   0.20815
V2      0.91542   0.50456   0.21250
V3      0.41519   0.50324   0.78667
V4      0.08710   0.50183   0.79299
V5      0.25042   0.50067   0.18130
V6     -0.24955   0.50017  -0.17798
V7      0.26075   0.50966  -0.03108
V8     -0.24462   0.50476   0.03260
O1      0.74902   0.50440   0.23707
O2      0.42088   0.50243   0.17848
O3      0.63169   0.50381   0.10589
O4      0.58501   1.00316   0.20828
O5      1.08018   0.50202   0.18520
O6      0.87359   0.50439   0.10931
O7      0.91505   1.00444   0.21264
O8      0.24982   0.50246   0.76097
O9      0.41496   1.00320   0.78633
O10      0.37618   0.50692   0.89029
O11      0.58126   0.50281   0.80999
O12      0.08697   1.00201   0.79305
O13     -0.08338   0.50112   0.79817
O14      0.13884   0.50599   0.89445
O15      0.24537   0.50361   0.07499
O16      0.25062   1.00095   0.18136
O17     -0.26934   0.50347  -0.07246
O18     -0.24977   1.00072  -0.17823
O19      0.26088   1.00910  -0.03106
O20     -0.24460   1.00485   0.03279
#
#_symmetry_space_group_name_H-M  P M M A
#_symmetry_Int_Tables_number   51
#
#   Starting Wyckoff positions:
#
#    1     4j     0.5869   0.5000   0.2100
#    2     2f     0.2500   0.5000   0.1870
#    3     2f     0.2500   0.5000  -0.0385
#
#   Coordination Sequence :
#
# PCOD5000719 V2O5            R =  0.0046   51
#   3
#   4  2  2
#    5  12  23  35   0   0   0   0   0   0
#    5  14  24  34   0   0   0   0   0   0
#    5  12  22  34   0   0   0   0   0   0
#
#_framework_density   11.94
#
