data_PCOD7001617
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiB4O8         PCOD7001617 R =  0.0097
Probable space group: P C
;
_chemical_formula_sum  "Si B4 O8"
_cell_formula_units_Z    2
_cell_length_a         15.3503
_cell_length_b          9.5313
_cell_length_c          6.9307
_cell_angle_alpha     90.000
_cell_angle_beta     105.866
_cell_angle_gamma     90.000
_cell_volume           975.39
_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      0.22163   0.31912   0.94439
B2      0.22382   0.67478   0.44565
B3      0.24256   0.42217   0.59685
B4      0.24359  -0.42875   1.09794
B5      0.37894   0.30138   0.49663
B6      0.37994  -0.30795   0.99489
Si7      0.36947   0.16228   1.14603
Si8      0.37132  -0.16950   1.64496
B9      0.41935   0.11038   0.79856
B10      0.41791  -0.11676   1.29564
O1      0.22123   0.35102   0.75005
O2      0.26583   0.19853   1.02591
O3      0.22229   0.43117   1.07011
O4      0.22511   0.56353   0.57352
O5      0.22267   0.64201   0.25166
O6      0.26725   0.79646   0.52578
O7      0.29686   0.36101   0.49231
O8      0.29947  -0.37065   0.99555
O9      0.41435   0.20772   0.64974
O10      0.40170   0.27830   0.32004
O11      0.41462  -0.21216   1.14527
O12      0.40226  -0.28692   0.81735
O13      0.42992   0.16141   0.98950
O14      0.37434   0.00976   1.24815
O15      0.43070  -0.17019   1.48628
O16      0.37785  -0.01742   1.74902
#
#_symmetry_space_group_name_H-M  P C
#_symmetry_Int_Tables_number    7
#
#   Starting Wyckoff positions:
#
#    1     2a     0.2438   0.3228   0.9703
#    2     2a     0.1846   0.4002   0.5761
#    3     2a     0.3252   0.2479   0.4918
#    4     2a     0.4169   0.1935   1.1519
#    5     2a     0.4468   0.1333   0.7317
#
#   Coordination Sequence :
#
# PCOD7001617 SiB4O8          R =  0.0097    7
#   5
#   2  2  2  2  2
#    3   7  10  15  19  23  27  30  34  39
#    3   6  11  15  19  24  26  29  35  38
#    3   7  11  15  19  22  27  30  34  39
#    4   8  11  15  19  22  28  31  34  39
#    3   8  11  14  18  23  26  32  35  37
#
#_framework_density   10.25
#
