data_PCOD7002937
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
Si4B6O17       PCOD7002937 R =  0.0058
Probable space group: P M M M
;
_chemical_formula_sum  "Si4 B6 O17"
_cell_formula_units_Z    1
_cell_length_a         10.6976
_cell_length_b          7.4615
_cell_length_c         14.5164
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1158.70
_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      0.37408  -0.00133  -0.00298
B2      0.62949  -0.01296  -0.00674
Si3      0.19769  -0.29965   0.00265
Si4     -0.19472   0.28662  -0.00943
Si5     -0.19103  -0.30895  -0.01044
Si6      0.19616   0.29481   0.00069
B7     -0.00263  -0.19475   0.11399
B8     -0.00435   0.17050   0.11052
B9      0.00634  -0.18686  -0.12121
B10      0.00694   0.17758  -0.12055
O1      0.50158  -0.00881  -0.01245
O2      0.31175  -0.16007   0.00919
O3      0.31292   0.15873   0.00544
O4      0.69119   0.14686  -0.01633
O5      0.69307  -0.17173  -0.01396
O6      0.10911  -0.27528   0.09161
O7      0.11647  -0.25824  -0.08848
O8      0.24738  -0.50301  -0.00015
O9     -0.11526   0.24855   0.08299
O10     -0.10301   0.26087  -0.09664
O11     -0.24523   0.48956  -0.00978
O12     -0.11003  -0.27421   0.08152
O13     -0.10272  -0.27402  -0.09863
O14      0.10460   0.25727   0.08689
O15      0.11763   0.25364  -0.09192
O16     -0.00218  -0.01160   0.12467
O17      0.00307  -0.00441  -0.13523
#
#_symmetry_space_group_name_H-M  P M M M
#_symmetry_Int_Tables_number   47
#
#   Starting Wyckoff positions:
#
#    1     2i     0.3461   0.0000   0.0000
#    2     4y     0.1937  -0.3403   0.0000
#    3     4u     0.0000  -0.1529   0.1475
#
#   Coordination Sequence :
#
# PCOD7002937 Si4B6O17        R =  0.0058   47
#   3
#   2  4  4
#    3   8  14  17  16  19  28  34  37   0
#    4   8  10  15  21  24  26  29  34   0
#    3   7   9  14  22  26  28  28  28   0
#
#_framework_density    8.63
#
