data_PCOD5001182
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5001182 R =  0.0095
Probable space group: P 4/M M M
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z    8
_cell_length_a         20.8461
_cell_length_b         20.8461
_cell_length_c          3.6470
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1584.85
_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      0.28129   0.00487  -0.02154
V2      0.72073   0.00287  -0.00027
V3      0.00810   0.28484   0.01227
V4      0.00696   0.72273   0.01417
V5      0.11801  -0.00526  -0.00710
V6     -0.12195  -0.00473   0.00205
V7     -0.00268   0.11151   0.00319
V8     -0.00254  -0.12323   0.00414
V9      0.42175   0.08454  -0.00911
V10     -0.41693  -0.07667  -0.01214
V11     -0.07975   0.41490   0.00797
V12      0.09424  -0.41223   0.01736
V13     -0.41112   0.09561   0.00082
V14      0.41091  -0.08934  -0.02255
V15      0.09428   0.41573   0.00965
V16     -0.07865  -0.41249   0.01377
O1      0.20188  -0.03226  -0.01415
O2      0.33439   0.07471  -0.01663
O3      0.32457  -0.07143  -0.01962
O4      0.28141   0.00487   0.47883
O5      0.80084   0.03781   0.00179
O6      0.66992  -0.06807  -0.00628
O7      0.67501   0.07741  -0.00041
O8      0.72096   0.00269   0.49967
O9     -0.00679   0.19874   0.00639
O10     -0.06807   0.32804   0.00940
O11      0.08377   0.32884   0.00946
O12      0.00821   0.28468   0.51197
O13     -0.03952   0.79708   0.00749
O14      0.07985   0.67417   0.01504
O15     -0.06606   0.67421   0.01245
O16      0.00699   0.72260   0.51369
O17      0.07535   0.07137  -0.00262
O18      0.04114  -0.04755  -0.00117
O19      0.11824  -0.00551   0.49273
O20     -0.08123   0.07286   0.00301
O21     -0.07937  -0.08165   0.00179
O22     -0.12234  -0.00486   0.50211
O23     -0.00233   0.11101   0.50331
O24     -0.00247  -0.12378   0.50360
O25      0.42587  -0.00301  -0.01540
O26      0.50362   0.11706  -0.00348
O27      0.42192   0.08459   0.49062
O28     -0.43022   0.00986  -0.00585
O29     -0.50166  -0.09739  -0.01675
O30     -0.41683  -0.07677   0.48810
O31      0.00729   0.42684   0.00968
O32     -0.09297   0.50127   0.01092
O33     -0.07963   0.41465   0.50826
O34      0.00778  -0.42606   0.01499
O35      0.10857  -0.49826   0.01244
O36      0.09434  -0.41214   0.51724
O37     -0.41101   0.09566   0.50021
O38      0.41089  -0.08930   0.47821
O39      0.09405   0.41556   0.50967
O40     -0.07867  -0.41236   0.51376
#
#_symmetry_space_group_name_H-M  P 4/M M M
#_symmetry_Int_Tables_number  123
#
#   Coordination Sequence :
#
# PCOD5001182 V2O5            R =  0.0095  123
#   3
#   4  4  8
#    5  12  20  30   0   0   0   0   0   0
#    5  13  25  39   0   0   0   0   0   0
#    5  11  17  25   0   0   0   0   0   0
#
#_framework_density   10.10
#
