data_PCOD7001926
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiB4O8         PCOD7001926 R =  0.0084
Probable space group: P 4 M M
;
_chemical_formula_sum  "Si B4 O8"
_cell_formula_units_Z    4
_cell_length_a         11.1674
_cell_length_b         11.1674
_cell_length_c         16.0016
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1995.59
_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      0.26846   0.27446   0.90385
B2      0.72288   0.72836   0.90011
B3      0.72065   0.27962   0.89854
B4      0.27068   0.72575   0.89472
Si5      0.13357   0.14181   0.77693
Si6     -0.14738  -0.13760   0.76709
Si7     -0.15125   0.14134   0.76641
Si8      0.13802  -0.13796   0.76593
B9      0.27782   0.27361   0.66348
B10     -0.27888  -0.27989   0.65985
B11     -0.28204   0.27686   0.65818
B12      0.27858  -0.27565   0.66165
B13      0.24556   0.49786   0.71321
B14     -0.23018   0.49988   0.71792
B15      0.49878   0.21011   0.71178
B16      0.50167  -0.20785   0.71208
B17      0.21106   0.49840   0.87787
B18     -0.21260   0.50365   0.88382
B19      0.49686   0.21405   0.87988
B20      0.49856  -0.20604   0.87841
O1      0.19316   0.20286   0.85802
O2      0.23885   0.39254   0.91724
O3      0.38711   0.24341   0.91260
O4      0.75350   0.61150   0.91799
O5      0.60559   0.76143   0.91464
O6      0.79087   0.79172   0.84382
O7      0.60307   0.25048   0.91526
O8      0.78180   0.21290   0.84057
O9      0.75597   0.39469   0.91734
O10      0.23915   0.60844   0.91093
O11      0.19911   0.79403   0.84377
O12      0.38843   0.75751   0.90723
O13     -0.00926   0.15764   0.77876
O14      0.16953   0.00242   0.77183
O15      0.18435   0.20675   0.69426
O16     -0.18410   0.00142   0.77158
O17     -0.00456  -0.15416   0.77061
O18     -0.19569  -0.19389   0.68069
O19     -0.19344   0.19596   0.67808
O20      0.19020  -0.19413   0.68068
O21      0.26623   0.39589   0.66791
O22      0.39108   0.22636   0.67181
O23     -0.39656  -0.24921   0.67372
O24     -0.24520  -0.39656   0.67321
O25     -0.25939   0.39377   0.68024
O26     -0.39774   0.23727   0.66987
O27      0.39400  -0.24102   0.67782
O28      0.24921  -0.39421   0.67229
O29      0.19848   0.49233   0.79228
O30     -0.19062   0.50465   0.79905
O31      0.50041   0.18687   0.79604
O32      0.50487  -0.17545   0.79487
#
#_symmetry_space_group_name_H-M  P 4 M M
#_symmetry_Int_Tables_number   99
#
#   Starting Wyckoff positions:
#
#    1     4d     0.2621   0.2621   0.9044
#    2     4d     0.1303   0.1303   0.7449
#    3     4d     0.2832   0.2832   0.6853
#    4     4f     0.2573   0.5000   0.7239
#    5     4f     0.2032   0.5000   0.8841
#
#   Coordination Sequence :
#
# PCOD7001926 SiB4O8          R =  0.0084   99
#   3
#   8  4  8
#    3   7  11  17  20  28  29  30  37   0
#    4   9  14  18  20  19  24  34  40   0
#    3   6   8  15  23  26  32  32  30   0
#
#_framework_density   10.02
#
