data_PCOD7003247
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiB4O8         PCOD7003247 R =  0.0049
Probable space group: P 4/M M M
;
_chemical_formula_sum  "Si B4 O8"
_cell_formula_units_Z    4
_cell_length_a         14.7880
_cell_length_b         14.7880
_cell_length_c         10.6486
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          2328.70
_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
Si1      0.34756   0.49888   0.00161
Si2      0.65198   0.49591  -0.00031
Si3      0.50159   0.34750  -0.00368
Si4      0.49831   0.64775   0.00220
B5      0.28859   0.50017  -0.25182
B6     -0.29221   0.49958  -0.25353
B7      0.49943   0.28341  -0.25526
B8      0.49729  -0.29479  -0.25194
B9     -0.29222   0.50161   0.25367
B10      0.29025   0.50057   0.25446
B11      0.49784  -0.29361   0.25573
B12      0.50070   0.28721   0.24935
B13      0.35066   0.34989  -0.37460
B14     -0.34990  -0.34854  -0.37327
B15     -0.35254   0.34778  -0.37278
B16      0.34433  -0.34948  -0.37098
B17     -0.34779  -0.34738   0.37440
B18      0.35254   0.34862   0.37320
B19      0.34503  -0.34738   0.37314
B20     -0.35185   0.34886   0.37144
O1      0.41594   0.41442  -0.00174
O2      0.40524   0.59119   0.00303
O3      0.28569   0.49692  -0.12279
O4      0.28570   0.49560   0.12581
O5      0.59474   0.40355  -0.00305
O6      0.58335   0.58028   0.00149
O7      0.71368   0.50091  -0.12480
O8      0.71323   0.49982   0.12473
O9      0.49772   0.28388  -0.12619
O10      0.49801   0.28512   0.12044
O11      0.50090   0.70882  -0.12308
O12      0.50119   0.70970   0.12673
O13      0.31239   0.42346  -0.31681
O14      0.29892   0.58237  -0.31009
O15     -0.31327   0.41966  -0.31221
O16     -0.30828   0.57953  -0.31527
O17      0.42109   0.30524  -0.31762
O18      0.58097   0.29952  -0.31313
O19      0.41580  -0.30862  -0.31094
O20      0.57576  -0.31013  -0.31751
O21     -0.31246   0.42252   0.31518
O22     -0.30460   0.58226   0.31527
O23      0.31532   0.42365   0.31771
O24      0.30245   0.58305   0.31134
O25      0.41582  -0.30443   0.31440
O26      0.57602  -0.31108   0.32062
O27      0.42241   0.30447   0.31462
O28      0.58206   0.30231   0.30804
O29      0.33740   0.33555  -0.50077
O30     -0.33480  -0.33518  -0.49905
O31     -0.34419   0.33962  -0.50061
O32      0.33632  -0.34124  -0.49892
#
#_symmetry_space_group_name_H-M  P 4/M M M
#_symmetry_Int_Tables_number  123
#
#   Starting Wyckoff positions:
#
#    1     4n     0.3397   0.5000   0.0000
#    2     8t     0.3064   0.5000  -0.2615
#    3     8r     0.3449   0.3449  -0.3811
#
#   Coordination Sequence :
#
# PCOD7003247 SiB4O8          R =  0.0049  123
#   3
#   4  8  8
#    4   9  10  10   8   8  10   8   8   0
#    3   7  10  11  10   9   8   9   8   0
#    3   6  10  12  10   9   9   8   8   0
#
#_framework_density    8.59
#
