data_PCOD7002827
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiB6O11        PCOD7002827 R =  0.0047
Probable space group: P C C 2
;
_chemical_formula_sum  "Si B6 O11"
_cell_formula_units_Z    2
_cell_length_a         10.6713
_cell_length_b         17.0984
_cell_length_c         11.8933
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2170.07
_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      0.29934   0.05852   0.69207
B2      0.69688   0.94141   0.69485
B3      0.30469   0.93769   0.19709
B4      0.69933   0.06043   0.19356
B5      0.30798  -0.06885   0.42501
B6     -0.29423   0.05970   0.42386
B7      0.30225   0.05785   0.92249
B8     -0.29716  -0.06107   0.92514
Si9      0.50175   0.00516   0.55564
Si10      0.50198  -0.00072   1.05768
B11      0.13132   0.00594   0.06938
B12     -0.12473  -0.00275   0.06343
B13      0.13145  -0.01513   0.56479
B14     -0.12427  -0.00450   0.56000
O1      0.30259   0.06233   0.80729
O2      0.40847   0.05784   0.63077
O3      0.19180   0.03235   0.64068
O4      0.58580   0.95176   0.63838
O5      0.69889   0.93544   0.80989
O6      0.80737   0.95631   0.63971
O7      0.30578   0.92249   0.31026
O8      0.19526   0.96262   0.14786
O9      0.41459   0.94653   0.13826
O10      0.69958   0.05851   0.30867
O11      0.80835   0.04260   0.13747
O12      0.58818   0.05461   0.13569
O13      0.42077  -0.05057   0.47424
O14      0.19934  -0.05048   0.48102
O15     -0.18686   0.03494   0.47658
O16     -0.40552   0.05913   0.48243
O17      0.41548   0.05232   0.97701
O18      0.19582   0.03597   0.97908
O19     -0.40841  -0.05582   0.98277
O20     -0.18794  -0.03987   0.97815
O21      0.00348  -0.00044   0.06312
O22      0.00344  -0.01199   0.55620
#
#_symmetry_space_group_name_H-M  P C C 2
#_symmetry_Int_Tables_number   27
#
#   Starting Wyckoff positions:
#
#    1     4e     0.3008   0.0426   0.7002
#    2     4e     0.2918  -0.0886   0.4212
#    3     2c     0.5000   0.0000   0.5342
#    4     4e     0.0854   0.0520   0.0937
#
#   Coordination Sequence :
#
# PCOD7002827 SiB6O11         R =  0.0047   27
#   3
#   8  2  4
#    3   6   9  11  15  18  20  24  26  29
#    4   6   8  12  14  18  22  22  26  30
#    3   5   9  13  14  17  21  23  27  30
#
#_framework_density    6.45
#
