data_PCOD5001180
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5001180 R =  0.0138
Probable space group: P 4/M M M
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z    6
_cell_length_a         17.8640
_cell_length_b         17.8640
_cell_length_c          3.6459
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1163.50
_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      0.09252   0.49952   0.00119
V2      0.88842   0.49737   0.00201
V3      0.49914   0.09233   0.00749
V4      0.50542   0.88905   0.01132
V5      0.33469  -0.01414   0.00556
V6     -0.34584  -0.00481   0.00663
V7     -0.00741   0.34293   0.00193
V8     -0.01090  -0.34631  -0.00612
V9      0.13387  -0.00494  -0.00026
V10     -0.14312   0.00183  -0.00735
V11     -0.00090   0.14056  -0.00636
V12     -0.00779  -0.14434  -0.00821
O1      0.08011   0.39710   0.00165
O2     -0.00951   0.49861   0.00044
O3      0.07802   0.60172  -0.00330
O4      0.09273   0.49955   0.50107
O5      0.90389   0.39521   0.00153
O6      0.88845   0.49720   0.50144
O7      0.90143   0.59969  -0.00148
O8      0.39994   0.06449   0.00677
O9      0.60244   0.08465   0.00881
O10      0.51086  -0.00905   0.01044
O11      0.49935   0.09218   0.50748
O12      0.40464   0.91136   0.00707
O13      0.50542   0.88935   0.51113
O14      0.60802   0.90291   0.01015
O15      0.23352  -0.02653   0.00281
O16      0.33484  -0.01396   0.50579
O17     -0.24495   0.01142  -0.00068
O18     -0.34682  -0.00475   0.50690
O19     -0.01776   0.24135  -0.00264
O20     -0.00728   0.34330   0.50180
O21      0.00639  -0.24553  -0.00762
O22     -0.01107  -0.34678   0.49427
O23      0.04860   0.05111  -0.00456
O24      0.07976  -0.09148  -0.00386
O25      0.13385  -0.00499   0.49942
O26     -0.08885   0.08837  -0.00642
O27     -0.05846  -0.05533  -0.00706
O28     -0.14333   0.00192   0.49245
O29     -0.00053   0.14058   0.49377
O30     -0.00792  -0.14430   0.49190
#
#_symmetry_space_group_name_H-M  P 4/M M M
#_symmetry_Int_Tables_number  123
#
#   Coordination Sequence :
#
# PCOD5001180 V2O5            R =  0.0138  123
#   3
#   4  4  4
#    5  10  16  26   0   0   0   0   0   0
#    5  11  18  29   0   0   0   0   0   0
#    5  13  24  35   0   0   0   0   0   0
#
#_framework_density   10.31
#
