data_PCOD7000181
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiB8O14        PCOD7000181 R =  0.0090
Probable space group: P -4 C 2
;
_chemical_formula_sum  "Si B8 O14"
_cell_formula_units_Z    2
_cell_length_a         15.1352
_cell_length_b         15.1352
_cell_length_c          8.0649
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1847.44
_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      0.50093   0.49528  -0.01012
Si2      0.50082   0.50325   0.49935
B3      0.67167   0.46432   0.10133
B4     -0.67436  -0.47068   0.08633
B5      0.46665  -0.67664  -0.10041
B6     -0.45372   0.66605  -0.11772
B7      0.67292  -0.46229   0.60532
B8     -0.67271   0.46187   0.59761
B9      0.46542   0.67383   0.37776
B10     -0.46644  -0.67054   0.40758
B11     -0.71267  -0.40699  -0.21330
B12      0.71551   0.40444  -0.20175
B13     -0.40064   0.71447   0.18661
B14      0.40290  -0.71395   0.20630
B15     -0.71694   0.40064   0.29385
B16      0.71383  -0.40322   0.30274
B17     -0.40128  -0.71610   0.70916
B18      0.41409   0.70745   0.68633
O1      0.58072   0.46442   0.10923
O2      0.53697   0.57563  -0.12230
O3      0.47120   0.41323  -0.12457
O4      0.41648   0.52748   0.09531
O5      0.47264   0.58312   0.37826
O6      0.41729   0.47304   0.60933
O7      0.58217   0.53486   0.61386
O8      0.53381   0.42000   0.39057
O9      0.71165   0.42978  -0.03770
O10      0.71592   0.52720   0.19274
O11     -0.71279  -0.43055  -0.04840
O12     -0.72012  -0.53173   0.17946
O13      0.43009  -0.70814   0.04404
O14      0.53327  -0.72524  -0.17317
O15     -0.41621   0.70454   0.01964
O16     -0.51449   0.71360  -0.20851
O17      0.71071  -0.42303   0.46905
O18      0.71880  -0.52933   0.68181
O19     -0.70756   0.42304   0.45810
O20     -0.72380   0.52491   0.67486
O21      0.43076   0.71189   0.51866
O22      0.52642   0.72119   0.28796
O23     -0.42842  -0.70663   0.54719
O24     -0.53279  -0.71558   0.32684
O25     -0.65944  -0.33778  -0.26113
O26      0.67502   0.32637  -0.24418
O27     -0.32721   0.67329   0.25124
O28      0.32238  -0.67708   0.24504
#
#_symmetry_space_group_name_H-M  P -4 C 2
#_symmetry_Int_Tables_number  116
#
#   Starting Wyckoff positions:
#
#    1     2d     0.5000   0.5000   0.0000
#    2     8j     0.6958   0.4437   0.1161
#    3     8j    -0.7162  -0.4000  -0.1923
#
#   Coordination Sequence :
#
# PCOD7000181 SiB8O14         R =  0.0090  116
#   3
#   2  8  8
#    4   8   8  10   8  10   8  10   8   0
#    3   7  10  10  10   8  10   8  10   0
#    3   6  10  12   8  10   8  10   8   0
#
#_framework_density    9.74
#
