data_PCOD7001491
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
Si2B6O13       PCOD7001491 R =  0.0097
Probable space group: P B A M
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_chemical_formula_sum  "Si2 B6 O13"
_cell_formula_units_Z    2
_cell_length_a         13.1252
_cell_length_b         11.4809
_cell_length_c          4.7579
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume           716.96
_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      0.43650   0.61306   0.50651
Si2      0.56108   0.37251   0.47403
Si3      0.05631   0.11283   0.49928
Si4      0.93555   0.88061   0.50844
B5      0.67612   0.41189  -0.03762
B6     -0.67543  -0.41759   0.01148
B7     -0.17914   0.91431   0.01149
B8      1.17202   0.07593  -0.02782
B9     -0.12423   0.22719   0.49163
B10      0.11624  -0.22926   0.47537
B11      0.62033   0.72294   0.46396
B12      0.37808   0.26946   0.51436
B13     -0.19286   1.14479  -0.01007
B14      0.18806  -1.15073  -0.02369
B15      0.68817   1.64351  -0.02848
B16      0.31055  -0.64766   0.00964
O1      0.49691   0.49140   0.49832
O2      0.51572   0.71722   0.44368
O3      0.34389   0.61460   0.28489
O4      0.38895   0.63105   0.81572
O5      0.61402   0.36731   0.16889
O6      0.48326   0.26533   0.51311
O7      0.65217   0.37004   0.70022
O8     -0.01932   0.22344   0.49063
O9      0.10785   0.09463   0.19597
O10     -0.00763  -0.00170   0.58256
O11      0.14560   0.13255   0.72722
O12      0.84418   0.88400   0.28331
O13      1.01160   0.77337   0.44914
O14      0.88433   0.86540   0.81372
O15      0.70701   0.52595  -0.01775
O16     -0.70779  -0.53061  -0.02590
O17     -0.21112   1.02721  -0.03010
O18      1.21247  -0.03448  -0.04962
O19     -0.17266   0.19285   0.24855
O20     -0.16980   0.20463   0.74757
O21      0.17012  -0.19618   0.23967
O22      0.15646  -0.20878   0.73843
O23      0.67412   0.70253   0.22034
O24      0.66288   0.69411   0.71904
O25      0.33216   0.30898   0.27192
O26      0.33315   0.28945   0.77138
#
#_symmetry_space_group_name_H-M  P B A M
#_symmetry_Int_Tables_number   55
#
#   Starting Wyckoff positions:
#
#    1     4h     0.4519   0.6338   0.5000
#    2     4g     0.7241   0.3968   0.0000
#    3     4h    -0.1361   0.2546   0.5000
#    4     4g    -0.1563   1.1277   0.0000
#
#   Coordination Sequence :
#
# PCOD7001491 Si2B6O13        R =  0.0097   55
#   4
#   4  4  4  4
#    4   9   8   8   8   8   8   0   0   0
#    3   8  10   8   8   8   8   0   0   0
#    3   7   9   8   8   8   8   0   0   0
#    3   6   9   9   8   8   8   0   0   0
#
#_framework_density   22.32
#
