data_PCOD7001078
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiB6O11        PCOD7001078 R =  0.0100
Probable space group: P M A 2
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_chemical_formula_sum  "Si B6 O11"
_cell_formula_units_Z    2
_cell_length_a         14.3435
_cell_length_b          7.3765
_cell_length_c         17.7899
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1882.25
_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      0.00033   0.50668   0.15064
Si2      0.49918   0.49844   0.15076
B3     -0.15593   0.36265   0.07483
B4      0.15854  -0.35236   0.08191
B5      0.34266  -0.35791   0.07182
B6      0.65803   0.35150   0.08144
B7      0.15809   0.00309   0.08482
B8     -0.15214   0.00396   0.07682
B9      0.66332  -0.00656   0.08722
B10      0.34036   0.00366   0.07426
B11      0.05106   0.15664   0.18524
B12     -0.04627  -0.14085   0.18467
B13      0.55160  -0.15266   0.18709
B14      0.44763   0.14499   0.18075
O1     -0.09166   0.48783   0.09901
O2      0.01471   0.32559   0.19961
O3      0.08902   0.52395   0.09532
O4     -0.01086   0.68923   0.19933
O5      0.59036   0.47661   0.09819
O6      0.48264   0.31430   0.19763
O7      0.40985   0.52391   0.09673
O8      0.51503   0.67766   0.20079
O9     -0.12840   0.18408   0.07171
O10     -0.24958   0.39927   0.08079
O11      0.25009  -0.40510   0.07582
O12      0.13863  -0.17564   0.10000
O13      0.36506  -0.17631   0.07128
O14      0.63490   0.17138   0.08850
O15      0.24753   0.04428   0.06327
O16      0.10879   0.13250   0.12414
O17     -0.09976  -0.10871   0.12173
O18     -0.24503  -0.03887   0.06801
O19      0.61875  -0.13034   0.13256
O20      0.39171   0.11951   0.11867
O21      0.00311   0.00685   0.21069
O22      0.49804  -0.00342   0.20418
#
#_symmetry_space_group_name_H-M  P M A 2
#_symmetry_Int_Tables_number   28
#
#   Starting Wyckoff positions:
#
#    1     2b     0.0000   0.5000   0.1875
#    2     4d    -0.1478   0.3453   0.0768
#    3     4d     0.1450  -0.0389   0.0786
#    4     4d     0.0635   0.1519   0.1656
#
#   Coordination Sequence :
#
# PCOD7001078 SiB6O11         R =  0.0100   28
#   4
#   2  4  4  4
#    4   8  10  14  20  22  26  30  32  38
#    3   6  10  14  18  23  26  29  35  38
#    3   5   9  15  18  20  26  30  33  38
#    3   7  10  13  17  22  24  29  33  36
#
#_framework_density    7.44
#
