data_PCOD7001115
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiB8O14        PCOD7001115 R =  0.0099
Probable space group: P 2
;
_chemical_formula_sum  "Si B8 O14"
_cell_formula_units_Z    1
_cell_length_a          6.5397
_cell_length_b         13.8511
_cell_length_c         10.9304
_cell_angle_alpha     90.000
_cell_angle_beta     107.675
_cell_angle_gamma     90.000
_cell_volume           943.37
_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
Si1      0.50271   0.28967   0.00522
B2     -0.10456   0.17512   0.08184
B3      0.10026   0.17689  -0.08585
B4      0.17097   0.27047   0.28191
B5     -0.16718   0.26734  -0.28101
B6      0.48266   0.33643  -0.24262
B7     -0.45509   0.32418   0.25996
B8     -0.06168   0.37703   0.38956
B9      0.07512   0.38745  -0.36303
O1      0.27407   0.23558  -0.03407
O2      0.51395   0.35564  -0.11428
O3      0.68911   0.20905   0.03236
O4      0.52852   0.34978   0.13544
O5     -0.00271   0.14091  -0.00280
O6      0.02355   0.21470   0.19432
O7     -0.03264   0.19882  -0.20711
O8      0.09742   0.34441   0.34164
O9      0.38224   0.27263   0.28352
O10     -0.07245   0.34922  -0.30987
O11     -0.37330   0.27654  -0.27461
O12      0.27941   0.34929  -0.32541
O13     -0.25807   0.33206   0.35073
O14     -0.00052   0.41677   0.51061
#
#_symmetry_space_group_name_H-M  P 2
#_symmetry_Int_Tables_number    3
#
#   Starting Wyckoff positions:
#
#    1     1c     0.5000   0.3173   0.0000
#    2     2e    -0.0895   0.1805   0.0998
#    3     2e     0.1672   0.2861   0.2722
#    4     2e     0.3919   0.2579  -0.2959
#    5     2e    -0.0737   0.3763   0.3710
#
#   Coordination Sequence :
#
# PCOD7001115 SiB8O14         R =  0.0099    3
#   5
#   1  2  2  2  2
#    4   8   8  12  18  22  24  26  28  32
#    3   7   9  11  16  22  25  26  28  33
#    3   6  10  13  16  21  23  26  31  34
#    3   7  10  12  18  21  23  27  29  33
#    3   6  11  15  16  18  23  28  32  34
#
#_framework_density    9.54
#
