data_PCOD1530609
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
VB7O13         PCOD1530609 R =  0.0150
Probable space group: P -6
;
_chemical_formula_sum  "V B7 O13"
_cell_formula_units_Z    3
_cell_length_a         19.0917
_cell_length_b         19.0917
_cell_length_c         10.9676
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume          3462.02
_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      0.95174   0.35416   0.00203
B2      0.64456   0.60063  -0.00081
B3      0.40032   0.04729  -0.00603
B4      0.85270   0.29911   0.18667
B5     -0.29853   0.55831   0.18706
B6     -0.55560  -0.85600   0.18512
B7      0.84935   0.30041  -0.18164
B8     -0.29772   0.55579  -0.17972
B9     -0.54994  -0.84492  -0.17647
V10     -0.26428   0.46277   0.00520
V11     -0.45585  -0.71777   0.01637
V12      0.72507   0.27189   0.00284
B13     -0.68771  -0.85367  -0.16390
B14      0.85686   0.17075  -0.16304
B15     -0.16631   0.69369  -0.16106
B16     -0.69120  -0.86358   0.16777
B17      0.85962   0.16926   0.16853
B18     -0.17046   0.69524   0.17339
B19      0.74869   0.12227   0.00267
B20     -0.11695   0.63721   0.00832
B21     -0.62920  -0.74756   0.00903
B22      0.96807   0.23078   0.00211
B23     -0.23092   0.74078   0.00135
B24     -0.74018  -0.96867  -0.00686
O1      0.91472   0.35236   0.11105
O2      0.91167   0.35080  -0.10426
O3      0.99354   0.31243   0.00215
O4      0.65051   0.56845   0.10876
O5      0.64723   0.56236  -0.10604
O6      0.68779   0.68413  -0.00548
O7      0.43467   0.08489   0.10287
O8      0.43985   0.08901  -0.11025
O9      0.31687   0.00689  -0.01124
O10      0.77804   0.28600   0.14870
O11      0.85875   0.23355   0.22587
O12     -0.28304   0.49798   0.15087
O13     -0.23361   0.62891   0.22966
O14     -0.49612  -0.77857   0.15521
O15     -0.62735  -0.86374   0.22729
O16      0.77498   0.28870  -0.14594
O17      0.85337   0.23357  -0.21990
O18     -0.28006   0.49703  -0.14346
O19     -0.23141   0.62796  -0.21539
O20     -0.49239  -0.77121  -0.12956
O21     -0.62110  -0.85131  -0.21817
O22     -0.16358   0.55405   0.00705
O23     -0.24187   0.38003   0.00596
O24     -0.37204   0.38650   0.00344
O25     -0.54606  -0.70664   0.01535
O26     -0.37918  -0.74879   0.01494
O27      0.71398   0.17044   0.00066
O28     -0.66660  -0.78364  -0.09937
O29     -0.74087  -0.92590  -0.10818
O30      0.78602   0.11834  -0.10282
O31      0.92811   0.19115  -0.10340
O32     -0.11396   0.67568  -0.09989
O33     -0.18624   0.74473  -0.10049
O34     -0.67060  -0.79124   0.11072
O35     -0.74106  -0.93277   0.10228
O36      0.78792   0.12067   0.10724
O37      0.93042   0.18917   0.10754
O38     -0.11810   0.67730   0.11221
O39     -0.19382   0.74309   0.11078
#
#_symmetry_space_group_name_H-M  P -6
#_symmetry_Int_Tables_number  174
#
#   Starting Wyckoff positions:
#
#    1     3j     0.9561   0.3540   0.0000
#    2     6l     0.8516   0.3081   0.2073
#    3     3j    -0.2654   0.4633   0.0000
#    4     6l    -0.7042  -0.8636  -0.1746
#    5     3j     0.7163   0.0885   0.0000
#    6     3j     0.9898   0.2364   0.0000
#
#   Coordination Sequence :
#
# PCOD1530609 VB7O13          R =  0.0150  174
#   4
#   9  9  3  3
#    3   3   3   6   6   2   0   0   0   0
#    3   5   7   6   2   0   0   0   0   0
#    5   9   7   2   0   0   0   0   0   0
#    3   3   1   2   6   6   2   0   0   0
#
#_framework_density    6.93
#
