data_PCOD7003132
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
Si4B18O35      PCOD7003132 R =  0.0037
Probable space group: P 6/M
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_chemical_formula_sum  "Si4 B18 O35"
_cell_formula_units_Z    1
_cell_length_a         16.2487
_cell_length_b         16.2487
_cell_length_c          8.3073
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume          1899.44
_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      0.49334  -0.00123   0.16459
B2     -0.00695   0.49825   0.15882
B3      0.50363   0.50556   0.16467
B4      0.49188  -0.00218   0.83506
B5     -0.00060   0.49367   0.83078
B6      0.49039   0.49635   0.83552
B7      0.45596  -0.16072   0.33221
B8      0.14393   0.61926   0.33418
B9     -0.62740  -0.47545   0.33514
B10     -0.46749   0.15661   0.33693
B11     -0.15455  -0.63325   0.32793
B12      0.62850   0.47584   0.33205
B13     -0.46207   0.15938  -0.33502
B14     -0.15255  -0.62575  -0.34229
B15      0.62003   0.47442  -0.33914
B16      0.45755  -0.15968  -0.33772
B17      0.14352   0.62885  -0.33768
B18     -0.63325  -0.47110  -0.33603
Si19      0.32069  -0.33786  -0.19531
Si20     -0.33149   0.34208  -0.19717
Si21     -0.33304   0.33511   0.18926
Si22      0.32518  -0.34210   0.19131
O1      0.48417  -0.07878   0.24621
O2      0.50043   0.07466   0.24869
O3      0.48756  -0.00456  -0.00001
O4      0.06329   0.57363   0.24192
O5     -0.07240   0.41961   0.24185
O6     -0.00997   0.49825  -0.00598
O7      0.57957   0.50718   0.23960
O8      0.49644   0.49930   0.00023
O9      0.42930   0.49784   0.25459
O10      0.48132  -0.07885   0.74879
O11      0.51104   0.07976   0.75679
O12      0.06224   0.57528   0.75074
O13     -0.06932   0.41910   0.74385
O14      0.56144   0.49706   0.74527
O15      0.41911   0.50330   0.75984
O16      0.41707  -0.24651   0.25413
O17      0.45725  -0.15742   0.49720
O18      0.23098   0.65401   0.26202
O19      0.13868   0.61642   0.49881
O20     -0.66957  -0.43365   0.25122
O21     -0.62366  -0.46994   0.49994
O22     -0.42607   0.24191   0.25629
O23     -0.45827   0.15413   0.50059
O24     -0.24022  -0.66706   0.25083
O25     -0.15104  -0.63085   0.49299
O26      0.66844   0.42812   0.26009
O27      0.61679   0.47132   0.49587
O28     -0.42288   0.24723  -0.26380
O29     -0.23683  -0.65471  -0.26367
O30      0.66517   0.43431  -0.25886
O31      0.41549  -0.24565  -0.25943
O32      0.22942   0.66633  -0.25978
O33     -0.68187  -0.43149  -0.26598
O34      0.32137  -0.34108  -0.00196
O35     -0.33337   0.33828  -0.00379
#
#_symmetry_space_group_name_H-M  P 6/M
#_symmetry_Int_Tables_number  175
#
#   Starting Wyckoff positions:
#
#    1     6i     0.5000   0.0000   0.1629
#    2    12l     0.4867  -0.1536   0.3313
#    3     4h     0.3333  -0.3333  -0.1532
#
#   Coordination Sequence :
#
# PCOD7003132 Si4B18O35       R =  0.0037  175
#   3
#   6 12  4
#    3   6  11  18  25  32  41  54  69  84
#    3   7  12  18  24  32  43  56  69  86
#    4   9  13  17  25  36  46  56  73  96
#
#_framework_density   11.58
#
