data_PCOD5001175
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5001175 R =  0.0137
Probable space group: P 4/M M M
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z   10
_cell_length_a         16.0489
_cell_length_b         16.0489
_cell_length_c          7.0135
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1806.45
_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      0.12342   0.26783   0.24912
V2      0.88999   0.74165   0.24511
V3      0.74868   0.10687   0.23533
V4      0.26146   0.89669   0.24309
V5      0.89057   0.27080   0.73829
V6      0.11000   0.74997   0.73491
V7      0.26918   0.11843   0.74732
V8      0.74519   0.88666   0.74095
V9      0.89223   0.74546   0.76188
V10      0.10611   0.25700   0.74902
V11      0.25940   0.89947   0.74340
V12      0.75121   0.10516   0.73598
V13      0.10935   0.74561   0.23656
V14      0.90680   0.24728   0.22794
V15      0.74659   0.88929   0.24114
V16      0.27035   0.11553   0.24957
V17      0.40069   0.00258  -0.00640
V18     -0.38843  -0.00057  -0.01178
V19      0.00713   0.39993   0.00518
V20      0.00496  -0.38949  -0.02846
O1      0.09592   0.28644   0.49839
O2      0.21975   0.21421   0.30783
O3      0.08817   0.37142   0.17862
O4      0.01869   0.22578   0.21924
O5      0.13410   0.23839  -0.00204
O6      0.88427   0.72604   0.50461
O7      0.78294   0.78154   0.25665
O8      0.99945   0.77245   0.26453
O9      0.89307   0.78941   0.00603
O10      0.92136   0.64281   0.13400
O11      0.71964   0.11296   0.48662
O12      0.85131   0.15046   0.28630
O13      0.64312   0.07694   0.16711
O14      0.77796  -0.00184   0.27236
O15      0.78142   0.09771  -0.01358
O16      0.29141   0.90089   0.49388
O17      0.20962   0.79667   0.27652
O18      0.23494   1.00740   0.25344
O19      0.36727   0.92462   0.17031
O20      0.22882   0.89549  -0.00645
O21      0.84441   0.16778   0.68912
O22      0.91349   0.27027   0.48159
O23      0.99592   0.23021   0.77631
O24      0.86423   0.24406   0.98617
O25      0.92400   0.37217   0.83638
O26      0.21282   0.79675   0.70614
O27      0.10944   0.71474   0.48753
O28     -0.00020   0.77838   0.72385
O29      0.10984   0.77899   0.98744
O30      0.08616   0.64266   0.80390
O31      0.20604   0.20893   0.68692
O32      0.30229   0.10813   0.49881
O33      0.23367   0.01045   0.73816
O34      0.23998   0.12551   0.99899
O35      0.37300   0.08345   0.81933
O36      0.85028   0.84815   0.69105
O37      0.71511   0.88337   0.49071
O38      0.77671   0.99484   0.70582
O39      0.77720   0.89363   0.99075
O40      0.64072   0.92048   0.81028
O41      0.93140   0.63689   0.77931
O42      0.08006   0.36373   0.81975
O43      0.36587   0.92686   0.81376
O44      0.64515   0.07536   0.80744
O45      0.07756   0.64105   0.16196
O46      0.93418   0.35697   0.18272
O47      0.64201   0.92243   0.17010
O48      0.37398   0.08063   0.17582
O49      0.50568  -0.00012  -0.10708
O50      0.01123   0.50285  -0.10843
#
#_symmetry_space_group_name_H-M  P 4/M M M
#_symmetry_Int_Tables_number  123
#
#   Coordination Sequence :
#
# PCOD5001175 V2O5            R =  0.0137  123
#   2
#  16  4
#    5  11  21  36  54  78 107 142   0   0
#    5  12  24  38  53  78 111 148   0   0
#
#_framework_density   11.07
#
