data_PCOD7000020
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiB6O11        PCOD7000020 R =  0.0080
Probable space group: P 42 C M
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_chemical_formula_sum  "Si B6 O11"
_cell_formula_units_Z    4
_cell_length_a         14.0859
_cell_length_b         14.0859
_cell_length_c         11.6044
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2302.45
_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      0.48041   0.15398   0.25472
B2      0.51826   0.84663   0.25346
B3      0.85148   0.48687   0.76564
B4      0.16070   0.51825   0.75776
B5      0.48899   0.84464   0.75788
B6      0.51756   0.15383   0.75344
B7      0.84930   0.50809   0.25949
B8      0.15773   0.48230   0.25835
Si9      0.00270   0.49449   0.10695
Si10      0.49982  -0.00246   0.60454
Si11      0.00467   0.50262   0.61123
Si12      0.50229   0.00114   0.10142
B13      0.63089   0.75930   0.65053
B14     -0.62243  -0.75710   0.64469
B15     -0.74747   0.61648   1.14439
B16      0.76186  -0.63359   1.14877
B17      0.61612  -0.74930   1.14755
B18     -0.62974   0.76357   1.14965
B19     -0.75513  -0.62460   0.64985
B20      0.74691   0.61028   0.64693
B21      0.59318   0.86255   0.46934
B22     -0.59701  -0.87147   0.46753
B23     -0.86626   0.59341   0.97111
B24      0.87036  -0.60094   0.97078
B25      0.59498  -0.86247   0.96795
B26     -0.59353   0.86575   0.96664
B27     -0.86532  -0.59176   0.47236
B28      0.86568   0.58573   0.47346
O1      0.45462   0.08202   0.18074
O2      0.45116   0.14760   0.36725
O3      0.55597   0.21129   0.22759
O4      0.55076   0.84454   0.36497
O5      0.54656   0.91989   0.18315
O6      0.44060   0.79317   0.22337
O7      0.79006   0.55698   0.73128
O8      0.92593   0.45906   0.69686
O9      0.84892   0.45470   0.87715
O10      0.08951   0.54891   0.68539
O11      0.15518   0.54559   0.87129
O12      0.20984   0.43683   0.73101
O13      0.57253   0.79916   0.73196
O14      0.45575   0.84133   0.86900
O15      0.45670   0.91649   0.68778
O16      0.54533   0.08083   0.68225
O17      0.54896   0.15375   0.86542
O18      0.43856   0.20646   0.72567
O19      0.85034   0.53709   0.37250
O20      0.92135   0.53853   0.18859
O21      0.79472   0.43188   0.22659
O22      0.08699   0.45186   0.18545
O23      0.15217   0.45760   0.37248
O24      0.21570   0.55602   0.22580
O25      0.04890   0.57501   0.02559
O26     -0.04440   0.41434   0.02617
O27      0.57839  -0.05134   0.52295
O28      0.41929   0.04381   0.52316
O29     -0.04805   0.57810   0.52875
O30      0.05018   0.42179   0.52954
O31      0.58169   0.05157   0.02202
O32      0.42485  -0.04819   0.01828
O33      0.68581   0.68190   0.67683
O34      0.62064   0.78770   0.53788
O35     -0.69195  -0.69493   0.67775
O36     -0.62302  -0.79588   0.53601
O37     -0.68330   0.68507   1.17596
O38     -0.79198   0.62288   1.03924
O39      0.69402  -0.69793   1.18148
O40      0.79630  -0.63274   1.03789
O41      0.61407  -0.78567   1.03761
O42     -0.62659   0.79468   1.03739
O43     -0.78856  -0.61816   0.53868
O44      0.78832   0.61031   0.53955
#
#_symmetry_space_group_name_H-M  P 42 C M
#_symmetry_Int_Tables_number  101
#
#   Starting Wyckoff positions:
#
#    1     8e     0.4805   0.1307   0.2639
#    2     4c     0.0000   0.5000   0.1271
#    3     8e     0.6020   0.7325   0.6520
#    4     8e     0.5076   0.8343   0.4823
#
#   Coordination Sequence :
#
# PCOD7000020 SiB6O11         R =  0.0080  101
#   3
#  16  4  8
#    3   6   9  12  19  30  42  53  66  81
#    4   6   8  12  18  30  46  56  60  78
#    3   5   9  15  20  27  39  53  68  85
#
#_framework_density   12.16
#
