data_PCOD5000223
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2O5           PCOD5000223 R =  0.0088
Probable space group: A M M 2
;
_chemical_formula_sum  "V2 O5"
_cell_formula_units_Z  10
_cell_length_a         16.0726
_cell_length_b          7.0813
_cell_length_c         14.4042
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1639.42
_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      0.49272  -0.01333   0.57403
V2      0.49551   0.49376   0.07541
V3      0.49452  -0.00540   0.82034
V4      0.49830   0.50258   1.32226
V5      0.30931  -0.26336   0.81078
V6     -0.31968   0.24752   0.81297
V7      0.30291   0.23733   0.80993
V8     -0.31532  -0.25012   0.81275
V9      0.31830   0.24986   1.30733
V10     -0.31276   0.75703   1.31508
V11      0.31539   0.75003   1.30991
V12     -0.31186   0.25670   1.31502
V13      0.31581   0.24644   1.06168
V14     -0.31275  -0.26488   1.06473
V15      0.32084  -0.25276   1.06280
V16     -0.31755   0.24263   1.06301
V17      0.30913   0.73819   1.56004
V18     -0.32158   0.24202   1.56373
V19      0.31134   0.23875   1.55825
V20     -0.32616   0.74590   1.56132
O1      0.51667   0.02060   0.69681
O2      0.42200   0.19079   0.57732
O3      0.42041  -0.21618   0.57446
O4      0.57132   0.16627   0.54378
O5      0.56926  -0.17998   0.52650
O6      0.52098   0.48201   0.19842
O7      0.42466   0.29249   0.09096
O8      0.42805   0.69920   0.09821
O9      0.57475   0.31762   0.04584
O10      0.57787   0.66746   0.05336
O11      0.41772  -0.19074   0.79732
O12      0.41307   0.17372   0.80887
O13      0.57277   0.17969   0.83775
O14      0.57533  -0.18617   0.82761
O15      0.42958   0.29437   1.32131
O16      0.42624   0.69771   1.29471
O17      0.57929   0.68481   1.33348
O18      0.58148   0.32839   1.34202
O19      0.27918  -0.01455   0.82177
O20      0.32244  -0.27756   0.93642
O21      0.33369  -0.51420   0.79903
O22      0.29453  -0.24366   0.68550
O23     -0.28965  -0.00060   0.80123
O24     -0.30078   0.22755   0.93760
O25     -0.29217   0.49748   0.81501
O26     -0.34136   0.25713   0.68865
O27      0.30513   0.26234   0.93586
O28      0.29628   0.21813   0.68385
O29     -0.30413  -0.23911   0.93861
O30     -0.33180  -0.26713   0.68793
O31      0.29378   0.49886   1.29553
O32      0.29367   0.21256   1.18491
O33      0.30295   0.26939   1.43262
O34      0.34082  -0.00050   1.32128
O35     -0.28322   0.50678   1.31570
O36     -0.29441   0.76247   1.43983
O37     -0.34172   1.00718   1.31497
O38     -0.33082   0.75337   1.19022
O39      0.32523   0.71727   1.43486
O40      0.29827   0.78335   1.18588
O41     -0.30239   0.25704   1.18870
O42     -0.29525   0.23539   1.44046
O43      0.34384  -0.00242   1.05007
O44      0.29382   0.49797   1.07361
O45     -0.29309  -0.00949   1.06985
O46     -0.28183  -0.51296   1.04914
O47      0.33267   0.48844   1.57275
O48      0.28849   0.98896   1.54611
O49     -0.29927   0.49504   1.56156
O50     -0.29390  -0.00744   1.57470
#
#_symmetry_space_group_name_H-M  A M M 2
#_symmetry_Int_Tables_number   38
#
#   Starting Wyckoff positions:
#
#    1     2b     0.5000   0.0000   0.5818
#    2     2b     0.5000   0.0000   0.8297
#    3     8f     0.3157  -0.2429   0.7985
#    4     8f     0.3371   0.2498   1.0709
#
#   Coordination Sequence :
#
# PCOD5000223  V2O5           R =  0.0088   38
#   2
#   4 16
#    5  12  24  34  43  54  65  74   0   0
#    5  13  25  36  45  55  65  75   0   0
#
#_framework_density   12.20
#
