data_PCOD1533783
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB5O10         PCOD1533783 R =  0.0107
Probable space group: I 4 M M
;
_chemical_formula_sum  "V B5 O10"
_cell_formula_units_Z    8
_cell_length_a         13.7269
_cell_length_b         13.7269
_cell_length_c         16.7765
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          3161.18
_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      0.67777   0.68038   0.40232
B2      0.33173   0.32909   0.40771
B3      0.33352   0.66803   0.40406
B4      0.66849   0.32802   0.41039
B5      0.17463   0.18125   0.91336
B6      0.82236   0.83040   0.90960
B7      0.82149   0.17610   0.91240
B8      0.17407   0.82839   0.91029
V9      0.63881   0.63246   0.22445
V10     -0.63037  -0.63627   0.22996
V11     -0.62687   0.62915   0.22391
V12      0.63492  -0.63311   0.23336
V13      1.13615   1.13619   0.73644
V14     -0.13446  -0.12852   0.73560
V15     -0.13308   1.13254   0.73429
V16      1.13250  -0.13246   0.72877
B17      0.09349   0.35300   0.91053
B18     -0.09001  -0.34155   0.89837
B19     -0.34962   0.09421   0.90646
B20      0.34350  -0.08976   0.90206
B21      0.09733  -0.34485   0.91142
B22     -0.09739   0.34684   0.91350
B23     -0.35265  -0.09797   0.90946
B24      0.35093   0.10145   0.90937
B25      0.59362   0.85255   1.39942
B26      0.41301   0.15441   1.41189
B27      0.16093   0.58907   1.40794
B28      0.84319   0.40717   1.41039
B29      0.59928   0.14595   1.41074
B30      0.40784   0.84484   1.40341
B31      0.15353   0.40357   1.40707
B32      0.84733   0.59565   1.40680
B33      0.85471   0.40512   1.25574
B34     -0.84384  -0.40943   1.24957
B35     -0.41021   0.85124   1.24307
B36      0.41448  -0.85560   1.25611
B37      0.85570  -0.40907   1.25043
B38     -0.84891   0.40601   1.25145
B39     -0.40050  -0.85743   1.25684
B40      0.40663   0.85010   1.24690
B41      1.35542   0.89954   1.74436
B42     -0.35699   0.10072   1.75021
B43      0.10354   1.36123   1.75411
B44      0.89933  -0.35172   1.73987
B45      1.35520   0.09727   1.76056
B46     -0.35164   0.90220   1.75775
B47      0.09733  -0.34828   1.75836
B48      0.90323   1.34828   1.76000
O1      0.64173   0.64012   0.33327
O2      0.64414   0.77107   0.42398
O3      0.76750   0.65013   0.42906
O4      0.36666   0.23981   0.43216
O5      0.23734   0.35338   0.42704
O6      0.37027   0.36675   0.33865
O7      0.36709   0.63219   0.33261
O8      0.24542   0.63464   0.43195
O9      0.36527   0.75890   0.42718
O10      0.63193   0.36980   0.34209
O11      0.76022   0.35804   0.43298
O12      0.64381   0.23337   0.42821
O13      0.14496   0.27283   0.93643
O14      0.26834   0.15253   0.93030
O15      0.13346   0.14350   0.84524
O16      0.85865   0.87898   0.84428
O17      0.85814   0.73845   0.92374
O18      0.72964   0.85317   0.93459
O19      0.72965   0.14589   0.93370
O20      0.85711   0.26344   0.94022
O21      0.85981   0.13894   0.84286
O22      0.26762   0.85466   0.93066
O23      0.13965   0.74044   0.93802
O24      0.14175   0.86048   0.83734
O25      0.50590   0.62833   0.22885
O26      0.64014   0.49970   0.23087
O27      0.77198   0.63520   0.22286
O28      0.63303   0.76543   0.21920
O29     -0.49752  -0.63173   0.22973
O30     -0.63152  -0.50365   0.22670
O31     -0.76326  -0.63880   0.22966
O32     -0.62635  -0.76916   0.23087
O33     -0.62802   0.76198   0.22047
O34     -0.76027   0.63205   0.21933
O35      0.76781  -0.63668   0.23330
O36      0.63384  -0.76642   0.23593
O37      1.00331   1.13077   0.73515
O38      1.14190   1.00371   0.74208
O39      1.26932   1.14201   0.73838
O40      1.13054   1.26924   0.73064
O41     -0.00238  -0.11536   0.74078
O42     -0.14734   0.00356   0.72884
O43     -0.26687  -0.14154   0.73174
O44     -0.12053  -0.25846   0.71511
O45     -0.13835   1.26545   0.72891
O46     -0.26612   1.13157   0.72689
O47      1.26539  -0.13237   0.71977
O48      1.13665  -0.26574   0.72461
O49     -0.00185   0.36140   0.93557
O50      0.11158   0.38395   0.83373
O51      0.00051  -0.35807   0.93094
O52     -0.10289  -0.37042   0.82045
O53     -0.35892  -0.00133   0.93090
O54     -0.38018   0.11213   0.82956
O55      0.35232   0.00419   0.93024
O56      0.37428  -0.10562   0.82493
O57      0.12443  -0.37168   0.83518
O58     -0.12206   0.37400   0.83677
O59     -0.38288  -0.12225   0.83340
O60      0.38901   0.12242   0.83525
O61      0.50084   0.86407   1.42997
O62      0.60741   0.87894   1.32089
O63      0.50574   0.13748   1.44032
O64      0.39684   0.12188   1.33504
O65      0.14422   0.49675   1.43715
O66      0.13625   0.60495   1.32927
O67      0.85243   0.50206   1.43633
O68      0.87884   0.38948   1.33475
O69      0.61560   0.11274   1.33428
O70      0.38927   0.87260   1.32574
O71      0.12223   0.39128   1.32959
O72      0.87837   0.60904   1.32925
O73      0.87358   0.49670   1.22592
O74     -0.86499  -0.50165   1.22158
O75     -0.50264   0.87314   1.21649
O76      0.50678  -0.87710   1.22864
O77      1.40612   0.96448   1.69820
O78     -0.40573   0.03292   1.70534
O79      0.04420   1.41565   1.70574
O80      0.94786  -0.41437   1.69005
#
#_symmetry_space_group_name_H-M  I 4 M M
#_symmetry_Int_Tables_number  107
#
#   Starting Wyckoff positions:
#
#    1     8c     0.6608   0.6608   0.4102
#    2     8c     0.6377   0.6377   0.2371
#    3    16e     0.0965   0.3591   0.9173
#    4    16e     0.8609   0.4015   1.2414
#
#   Coordination Sequence :
#
# PCOD1533783 VB5O10          R =  0.0107  107
#   4
#   8  8 16 16
#    3   6   7   5   2   0   0   0   0   0
#    5   9   7   2   0   0   0   0   0   0
#    3   4   5   6   4   1   0   0   0   0
#    3   5   7   6   2   0   0   0   0   0
#
#_framework_density   15.18
#
