data_PCOD1530620
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V4B2O13        PCOD1530620 R =  0.0097
Probable space group: P 6/M
;
_chemical_formula_sum  "V4 B2 O13"
_cell_formula_units_Z    3
_cell_length_a         16.3098
_cell_length_b         16.3098
_cell_length_c          7.4070
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume          1706.36
_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      0.46209   0.79381   0.26125
V2      0.21160   0.66221   0.25921
V3      0.34401   0.54371   0.26066
V4      0.55083   0.20490   0.26142
V5      0.80065   0.33579   0.26270
V6      0.67016   0.45540   0.26008
V7      0.54814   0.20487   0.75459
V8      0.79903   0.34180   0.75453
V9      0.66120   0.45459   0.75408
V10      0.45972   0.79162   0.75422
V11      0.20848   0.66380   0.75269
V12      0.33661   0.54155   0.75349
B13      0.52023   0.00294  -0.17072
B14      0.00058   0.50165  -0.17217
B15      0.50416   0.50643  -0.16640
B16      0.52270   0.00440   0.18698
B17      0.00013   0.50972   0.18450
B18      0.51321   0.51154   0.19130
O1      0.33580   0.75603   0.26035
O2      0.43193   0.66980   0.25933
O3      0.46140   0.79187   0.50774
O4      0.48949   0.91743   0.26712
O5      0.46284   0.79569   0.01494
O6      0.25082   0.57507   0.25404
O7      0.20986   0.66215   0.50551
O8      0.08813   0.56551   0.25888
O9      0.21108   0.66415   0.01285
O10      0.33959   0.54331   0.50699
O11      0.43935   0.51495   0.27380
O12      0.34743   0.54168   0.01484
O13      0.67652   0.24137   0.26816
O14      0.58179   0.32933   0.26484
O15      0.54594   0.20198   0.50790
O16      0.52106   0.08073   0.26115
O17      0.55469   0.20696   0.01538
O18      0.76151   0.42134   0.22540
O19      0.79999   0.34657   0.50787
O20      0.92441   0.43187   0.26134
O21      0.80472   0.32091   0.01950
O22      0.66364   0.45983   0.50736
O23      0.57286   0.48270   0.26104
O24      0.66132   0.45485   0.01304
O25      0.67484   0.24609   0.74947
O26      0.57551   0.32815   0.74690
O27      0.52143   0.08181   0.76020
O28      0.75663   0.42661   0.75340
O29      0.92840   0.41721   0.76210
O30      0.56359   0.47936   0.75673
O31      0.33376   0.75518   0.75024
O32      0.42796   0.66695   0.75295
O33      0.48823   0.91554   0.75235
O34      0.24484   0.57456   0.75133
O35      0.08520   0.56643   0.75107
O36      0.42825   0.50801   0.75720
O37      0.54726   0.01079   0.00759
O38     -0.01038   0.52215   0.00376
O39      0.52394   0.53505   0.01091
#
#_symmetry_space_group_name_H-M  P 6/M
#_symmetry_Int_Tables_number  175
#
#   Starting Wyckoff positions:
#
#    1    12l     0.4559   0.7883   0.2387
#    2     6i     0.5000   0.0000  -0.1840
#
#   Coordination Sequence :
#
# PCOD1530620 V4B2O13         R =  0.0097  175
#   2
#  12  6
#    5  11  18  28  40  54  74  98   0   0
#    3   8  17  26  38  54  70  94   0   0
#
#_framework_density   10.55
#
