data_PCOD7003248
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
Si2B6O13       PCOD7003248 R =  0.0054
Probable space group: P 4/M M M
;
_chemical_formula_sum  "Si2 B6 O13"
_cell_formula_units_Z    2
_cell_length_a         15.0812
_cell_length_b         15.0812
_cell_length_c          6.4900
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1476.09
_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      0.91287   0.48045   0.52241
B2      0.09255   0.50198   0.51719
B3      0.52172   0.90923   0.50261
B4      0.52699   0.09096   0.49328
B5      0.79129   0.48790   0.22643
B6     -0.78932   0.48879   0.21816
B7      0.50322   0.78457   0.21134
B8      0.49067  -0.78924   0.19544
B9     -0.78273   0.48998  -0.19293
B10      0.78959   0.50083  -0.18529
B11      0.50490  -0.79004  -0.21777
B12      0.50422   0.78699  -0.20507
Si13      0.64927   0.48343   0.51978
Si14     -0.64817   0.50750   0.50338
Si15      0.51474   0.64234   0.50081
Si16      0.48743  -0.64957   0.48539
O1      0.86847   0.48230   0.33783
O2      1.00359   0.48405   0.52937
O3      0.86604   0.49096   0.70233
O4      0.13369   0.48817   0.33098
O5      0.14194   0.50628   0.69449
O6      0.51768   0.86024   0.32425
O7      0.51930   1.00016   0.49565
O8      0.51521   0.86436   0.68642
O9      0.50711   0.13856   0.31843
O10      0.53327   0.13627   0.67672
O11      0.79426   0.51357   0.02386
O12      0.71150   0.47101   0.31964
O13     -0.78929   0.46916   0.01194
O14     -0.71452   0.52160   0.31133
O15      0.48881   0.79056   0.00300
O16      0.51816   0.70227   0.29515
O17      0.48209  -0.79930  -0.01381
O18      0.49715  -0.70520   0.27494
O19     -0.70199   0.50697  -0.28235
O20      0.70986   0.48095  -0.27574
O21      0.47353  -0.71874  -0.32744
O22      0.51671   0.70688  -0.30175
O23      0.59898   0.57726   0.50563
O24      0.57653   0.40575   0.52766
O25     -0.57591   0.58600   0.50502
O26     -0.59739   0.41456   0.47275
#
#_symmetry_space_group_name_H-M  P 4/M M M
#_symmetry_Int_Tables_number  123
#
#   Starting Wyckoff positions:
#
#    1     4o     0.9132   0.5000   0.5000
#    2     8t     0.7765   0.5000   0.2213
#    3     4o     0.6553   0.5000   0.5000
#
#   Coordination Sequence :
#
# PCOD7003248 Si2B6O13        R =  0.0054  123
#   3
#   4  8  4
#    3   5   9  17  27  35  42  51  61  79
#    3   6  12  18  23  33  44  52  69  95
#    4   8  13  19  24  30  42  62  86 105
#
#_framework_density   10.84
#
