data_PCOD1533240
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
V2B8O17        PCOD1533240 R =  0.0079
Probable space group: P M M M
;
_chemical_formula_sum  "V2 B8 O17"
_cell_formula_units_Z    1
_cell_length_a          6.9086
_cell_length_b         13.9360
_cell_length_c         18.7113
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1801.49
_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      0.81416   0.09642   0.11374
B2      0.19081   0.90725   0.12072
B3      0.18698   0.08847   0.88544
B4      0.80552   0.89745   0.88592
B5      0.18497   0.89876   0.88800
B6      0.80912   0.08838   0.88594
B7      0.81319   0.90660   0.11621
B8      0.19235   0.09596   0.11943
V9      0.50135  -0.12252   0.00079
V10      0.49988   0.13841   0.00135
O1      0.69253   0.14518   0.06837
O2      1.00308   0.12710   0.11935
O3      0.77717   0.00208   0.13017
O4      0.00206   0.87550   0.11990
O5      0.22172   1.00179   0.13913
O6      0.31918   0.87066   0.07167
O7     -0.00215   0.11955   0.88200
O8      0.21976  -0.00692   0.87001
O9      0.30693   0.13006   0.93507
O10      0.99588   0.86795   0.88540
O11      0.77334   0.99308   0.87192
O12      0.68031   0.85069   0.93140
O13      0.30987   0.85566   0.93528
O14      0.68193   0.13488   0.93058
O15      0.69159   0.86339   0.06778
O16      0.31990   0.13915   0.07313
O17      0.50940   0.00780   0.00918
#
#_symmetry_space_group_name_H-M  P M M M
#_symmetry_Int_Tables_number   47
#
#   Starting Wyckoff positions:
#
#    1     8A     0.8019   0.1006   0.1161
#    2     2o     0.5000  -0.1371   0.0000
#
#   Coordination Sequence :
#
# PCOD1533240 V2B8O17         R =  0.0079   47
#   2
#   8  2
#    3   6   9   8   6   7   7   6   7   0
#    5   8   6   6   8   6   6   8   6   0
#
#_framework_density    5.55
#
