data_PCOD1534135
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2B8O17        PCOD1534135 R =  0.0094
Probable space group: P 4 M M
;
_chemical_formula_sum  "V2 B8 O17"
_cell_formula_units_Z    2
_cell_length_a         12.7883
_cell_length_b         12.7883
_cell_length_c         17.7926
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2909.80
_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      0.89147   0.50142   0.19985
B2      0.10388   0.49702   0.20263
B3      0.49883   0.89833   0.19615
B4      0.50301   0.11075   0.20466
B5      0.69131   0.16699   0.15624
B6     -0.67923  -0.17683   0.13292
B7     -0.17953   0.67688   0.13843
B8      0.15782  -0.69728   0.16416
B9      0.67635  -0.17019   0.13411
B10     -0.68141   0.16663   0.14663
B11     -0.17880  -0.67557   0.13047
B12      0.16839   0.68365   0.15168
V13      0.79294   0.00543   0.04771
V14     -0.80088  -0.00109   0.05327
V15     -0.00658   0.80236   0.05925
V16     -0.00210  -0.79775   0.05431
B17      0.85692   0.00206  -0.11060
B18     -0.85272  -0.01234  -0.10934
B19     -0.00245   0.85353  -0.10857
B20      0.01090  -0.85654  -0.10373
O1      0.99741   0.49962   0.21254
O2      0.84386   0.59622   0.18656
O3      0.84584   0.41387   0.16931
O4      0.15615   0.58824   0.18617
O5      0.15452   0.40325   0.19146
O6      0.50169   1.00364   0.21060
O7      0.59044   0.84749   0.17883
O8      0.40566   0.85345   0.17480
O9      0.59695   0.16069   0.19265
O10      0.41186   0.16055   0.18476
O11      0.71131   0.10203   0.09634
O12      0.75095   0.25604   0.16212
O13     -0.71521  -0.11083   0.07754
O14     -0.73955  -0.26060   0.15475
O15     -0.10629   0.70678   0.08603
O16     -0.26037   0.74582   0.15005
O17      0.06745  -0.73389   0.13188
O18      0.24813  -0.75505   0.16148
O19      0.70218  -0.09511   0.08212
O20     -0.70681   0.08738   0.09770
O21     -0.11154  -0.70908   0.07523
O22      0.09129   0.71911   0.10441
O23      0.78153  -0.00418  -0.05522
O24      0.90345   0.09492   0.06093
O25      0.88988  -0.10042   0.04592
O26     -0.79037  -0.03069  -0.04730
O27     -0.91163  -0.09095   0.05996
O28     -0.89629   0.10567   0.05679
O29      0.00414   0.79556  -0.04339
O30      0.01881  -0.78293  -0.04726
O31      0.91727   0.09119  -0.11213
O32      0.90762  -0.09128  -0.12433
O33     -0.91181  -0.09732  -0.13162
O34     -0.90063   0.08379  -0.11540
#
#_symmetry_space_group_name_H-M  P 4 M M
#_symmetry_Int_Tables_number   99
#
#   Starting Wyckoff positions:
#
#    1     4f     0.9037   0.5000   0.2056
#    2     8g     0.6930   0.1479   0.1540
#    3     4e     0.7957   0.0000   0.0565
#    4     4e     0.8695   0.0000  -0.1086
#
#   Coordination Sequence :
#
# PCOD1534135 V2B8O17         R =  0.0094   99
#   4
#   4  8  4  4
#    3   6  10  16  16  19  26  29  30  36
#    3   7  11  13  17  20  23  30  33  34
#    5   9   9   9  13  22  30  31  31  31
#    3   5   7   8   9  13  22  30  31  31
#
#_framework_density    6.87
#
