data_PCOD1530572
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB5O10         PCOD1530572 R =  0.0130
Probable space group: P 61
;
_chemical_formula_sum  "V B5 O10"
_cell_formula_units_Z    6
_cell_length_a         18.7784
_cell_length_b         18.7784
_cell_length_c          9.9940
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume          3052.02
_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
B1      0.11994   0.52954   0.14763
B2      0.47037   0.58994   0.48677
B3      0.41239   0.87878   0.83550
B4      0.87618   0.46566   0.65692
B5      0.53390   0.41292  -0.00813
B6      0.58536   0.11773   0.32059
B7     -0.01478   0.51856   0.07938
B8     -0.52458  -0.53785   0.40802
B9      0.53138   0.01351  -0.25148
B10      0.01422  -0.51790   0.57425
B11      0.51941   0.53229  -0.08998
B12     -0.54319  -0.01440   0.26012
V13      0.68340   0.31142   0.29337
V14     -0.31587   0.36928   0.62803
V15     -0.36977  -0.68287  -0.03707
V16     -0.68148  -0.31290   0.79390
V17      0.31288  -0.37099   0.12837
V18      0.37133   0.68423   0.46310
B19      0.51470   0.29944   0.34330
B20     -0.30800   0.21106   0.68152
B21     -0.21332  -0.51626   0.02222
B22     -0.51434  -0.30448   0.84804
B23      0.30114  -0.21525   0.18876
B24      0.21420   0.51390   0.51779
B25      0.63124   0.07973   0.54015
B26     -0.08558   0.55312   0.87680
B27     -0.55933  -0.64240   0.20306
B28     -0.64195  -0.08457   1.04996
B29      0.08336  -0.55193   0.37025
B30      0.55585   0.63619   0.70466
B31      0.15151  -0.44526   0.70688
B32      0.43956   0.58775   1.03770
B33     -0.58846  -0.15067   0.37438
B34     -0.14942   0.43672   1.20756
B35     -0.44309  -0.59417   0.53218
B36      0.58982   0.15120   0.87386
O1      0.06770   0.55716   0.10842
O2      0.20282   0.58332   0.16152
O3      0.08577   0.46388   0.23513
O4      0.41866   0.62140   0.49805
O5      0.53740   0.62137   0.57076
O6      0.44343   0.51194   0.43865
O7      0.38194   0.79565   0.83852
O8      0.37789   0.91176   0.91840
O9      0.48960   0.93262   0.78773
O10      0.79348   0.40995   0.66344
O11      0.90682   0.53121   0.74394
O12      0.93238   0.44559   0.60794
O13      0.55970   0.49090  -0.05464
O14      0.58610   0.38206   0.00329
O15      0.46511   0.37901   0.07214
O16      0.61983   0.20143   0.32804
O17      0.61657   0.08200   0.40551
O18      0.50370   0.06819   0.28801
O19     -0.03770   0.53393  -0.04303
O20     -0.07216   0.45810   0.16122
O21     -0.54659  -0.57944   0.28831
O22     -0.46474  -0.53835   0.48671
O23      0.56565   0.03254  -0.37698
O24      0.53319   0.07363  -0.17034
O25      0.03434  -0.53507   0.45095
O26      0.07505  -0.46447   0.65951
O27      0.53649   0.57003  -0.21285
O28      0.45896   0.53038  -0.00949
O29     -0.53474  -0.07135   0.33477
O30     -0.57898  -0.03544   0.13581
O31      0.58920   0.31786   0.28931
O32      0.70807   0.37102   0.44928
O33      0.66533   0.28791   0.11390
O34      0.79442   0.36129   0.26024
O35     -0.32900   0.26569   0.62840
O36     -0.36749   0.42756   0.58631
O37     -0.37438   0.33970   0.78513
O38     -0.26801  -0.58966  -0.03776
O39     -0.43075  -0.79280  -0.07774
O40     -0.58808  -0.32089   0.79270
O41     -0.79122  -0.36780   0.75072
O42     -0.65908  -0.28395   0.61675
O43     -0.70921  -0.37358   0.94889
O44      0.32020  -0.26977   0.12932
O45      0.37193  -0.33868   0.28488
O46      0.36477  -0.42965   0.09015
O47      0.27053   0.59040   0.46988
O48      0.43363   0.79391   0.42044
O49      0.45705   0.29975   0.25790
O50      0.51718   0.33010   0.46982
O51     -0.30954   0.15299   0.59532
O52     -0.33483   0.18537   0.81033
O53     -0.15594  -0.45690  -0.06182
O54     -0.18457  -0.52212   0.14673
O55     -0.45665  -0.30406   0.76193
O56     -0.51832  -0.33717   0.97336
O57      0.33543  -0.18652   0.31310
O58      0.29873  -0.15817   0.10457
O59      0.15577   0.46105   0.42771
O60      0.18521   0.51246   0.64550
#
#_symmetry_space_group_name_H-M  P 61
#_symmetry_Int_Tables_number  169
#
#   Starting Wyckoff positions:
#
#    1     6a     0.1301   0.5629   0.2156
#    2     6a     0.0063   0.5306   0.0575
#    3     6a     0.6760   0.2984   0.3174
#    4     6a     0.4912   0.2854   0.3642
#    5     6a     0.6479   0.0726   0.5012
#    6     6a     0.1403  -0.4292   0.6675
#
#   Coordination Sequence :
#
# PCOD1530572 VB5O10          R =  0.0130  169
#   6
#   6  6  6  6  6  6
#    3   8  14  20  33  44  57  74  98 114
#    3   5  12  23  31  40  55  78  96 113
#    5  12  18  24  35  52  64  76  95 125
#    3   6  11  20  28  39  57  69  83 108
#    3   5  10  20  28  36  54  72  87 110
#    3   6  13  21  31  41  57  75  91 112
#
#_framework_density   11.80
#
