data_PCOD5001169
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5001169 R =  0.0041
Probable space group: P 4/M M M
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z    6
_cell_length_a         18.3046
_cell_length_b         18.3046
_cell_length_c          3.6474
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1222.07
_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      0.09454   0.49871   0.49704
V2      0.90206   0.50309   0.49360
V3      0.49805   0.09815   0.50883
V4      0.49899   0.90374   0.50575
V5      0.25858   0.60057   0.50663
V6     -0.26318  -0.59587   0.49415
V7     -0.59752   0.26524   0.50888
V8      0.59569  -0.26302   0.50737
V9     -0.26567   0.59706   0.49374
V10      0.26498  -0.59187   0.50408
V11      0.59538   0.26474   0.50619
V12     -0.59759  -0.26301   0.51176
O1      0.16321   0.57119   0.50256
O2     -0.00223   0.47465   0.49583
O3      0.16783   0.43095   0.50036
O4      0.09451   0.49875   0.99730
O5      0.83105   0.57303   0.49554
O6      0.90203   0.50286   0.99380
O7      0.83272   0.43146   0.49447
O8      0.56863   0.16863   0.50724
O9      0.42754   0.16875   0.50897
O10      0.52077   0.00108   0.50787
O11      0.49814   0.09830   1.00896
O12      0.56956   0.83329   0.50636
O13      0.49910   0.90383   1.00595
O14      0.42823   0.83346   0.50907
O15      0.28787   0.50528   0.50560
O16      0.25862   0.60055   1.00653
O17      0.32270   0.67700   0.51035
O18     -0.28985  -0.49969   0.49348
O19     -0.26318  -0.59575   0.99424
O20     -0.32724  -0.67233   0.50071
O21     -0.50100   0.29078   0.50809
O22     -0.59739   0.26536   1.00884
O23     -0.65825   0.34441   0.50688
O24      0.49904  -0.28819   0.50921
O25      0.59563  -0.26300   1.00704
O26      0.67622  -0.32181   0.50043
O27     -0.26579   0.59708   0.99438
O28      0.26479  -0.59182   1.00417
O29      0.59535   0.26480   1.00585
O30     -0.59719  -0.26300   1.01154
#
#_symmetry_space_group_name_H-M  P 4/M M M
#_symmetry_Int_Tables_number  123
#
#   Coordination Sequence :
#
# PCOD5001169 V2O5            R =  0.0041  123
#   2
#   4  8
#    5  12  22  36   0   0   0   0   0   0
#    5  12  22  35   0   0   0   0   0   0
#
#_framework_density    9.82
#
