data_PCOD7001155
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiB6O11        PCOD7001155 R =  0.0074
Probable space group: P B A 2
;
_chemical_formula_sum  "Si B6 O11"
_cell_formula_units_Z    2
_cell_length_a         15.1255
_cell_length_b          7.2973
_cell_length_c         12.8699
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1420.54
_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      0.18204  -0.00717   0.09976
B2      0.82125   1.01098   0.10298
B3      0.68023   0.49968   0.10501
B4      0.32553   0.48721   0.10452
B5      0.44763   0.34431   0.22592
B6     -0.44203  -0.36092   0.23056
B7      0.94184   0.16004   0.22676
B8      0.05973   0.85888   0.22764
Si9      0.00315   0.50879   0.18022
Si10      0.50443  -0.00984   0.18003
B11      0.15977   0.35706   0.07709
B12     -0.15687  -0.35532   0.08978
B13      0.65740   0.13934   0.07385
B14      0.34559   0.84952   0.08499
O1      0.15511   0.16891   0.07964
O2      0.13149  -0.11658   0.16337
O3      0.26724  -0.05684   0.07641
O4      0.87336   1.13035   0.15856
O5      0.74096   1.06763   0.06518
O6      0.83519   0.82640   0.11561
O7      0.65001   0.32634   0.08313
O8      0.62924   0.61310   0.16590
O9      0.76824   0.53833   0.09021
O10      0.37736   0.36604   0.15933
O11      0.24196   0.43698   0.07432
O12      0.34255   0.67047   0.11734
O13      0.48034   0.17145   0.24545
O14      0.50104   0.49364   0.24395
O15     -0.47306  -0.18687   0.24989
O16      0.97145   0.33458   0.24743
O17      0.98803   0.01335   0.26544
O18      0.03003   0.68469   0.24898
O19      0.08824   0.45496   0.11165
O20     -0.07581   0.56328   0.10215
O21      0.58940   0.03066   0.10791
O22      0.42208  -0.05538   0.10454
#
#_symmetry_space_group_name_H-M  P B A 2
#_symmetry_Int_Tables_number   32
#
#   Starting Wyckoff positions:
#
#    1     4c     0.1840   0.0095   0.0632
#    2     4c     0.4445   0.3525   0.2350
#    3     2b     0.0000   0.5000   0.1841
#    4     4c     0.1439   0.3653   0.1178
#
#   Coordination Sequence :
#
# PCOD7001155 SiB6O11         R =  0.0074   32
#   4
#   4  4  2  4
#    3   6  11  15  17  22  27  29  34  37
#    3   7  10  15  18  22  26  28  34  37
#    4   8  10  14  20  22  26  30  32  38
#    3   7  10  14  18  22  26  30  33  38
#
#_framework_density    9.86
#
