data_PCOD7001674
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
SiB4O8         PCOD7001674 R =  0.0098
Probable space group: P 43
;
_chemical_formula_sum  "Si B4 O8"
_cell_formula_units_Z    4
_cell_length_a         11.0211
_cell_length_b         11.0211
_cell_length_c          8.5901
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1043.39
_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      0.13422   1.03493   0.13801
Si2      0.87612  -0.02254   0.64686
Si3     -0.02568   0.15483   0.89824
Si4      1.03816   0.87761   0.39466
B5      0.21850   0.83617  -0.06781
B6     -0.19805  -0.86835   0.39229
B7     -0.83400   0.21247  -0.32331
B8      0.85167  -0.19749   0.16886
B9      0.70447  -0.18529   0.78566
B10     -0.69603   0.17813   1.27664
B11      0.19096   0.71134   0.53386
B12     -0.19525  -0.69398   1.04277
B13     -0.35083  -0.85021   0.16848
B14      0.34797   0.85068   0.67905
B15      0.84907  -0.33361  -0.08031
B16     -0.84389   0.33186   0.41142
B17     -0.06334  -0.68868   0.28561
B18      0.07183   0.67617   0.79177
B19      0.67134  -0.06581   0.04340
B20     -0.67452   0.06232   0.54424
O1      0.16959   0.92014   0.03185
O2      0.09815   0.99380   0.31158
O3      0.02153   1.10872   0.06542
O4      0.25029   1.12404   0.14909
O5      0.77844  -0.12853   0.67904
O6      0.91482   0.04148   0.80774
O7      0.99281  -0.08255   0.56524
O8      0.81414   0.07589   0.53370
O9     -0.12827   0.25730   0.92220
O10      0.08750   0.20685   0.80046
O11      1.14029   0.77396   0.41135
O12      0.92852   0.82488   0.29103
O13      0.30909   0.86813  -0.17013
O14      0.14597   0.73917  -0.10805
O15     -0.30866  -0.86473   0.31866
O16     -0.10333  -0.79959   0.33855
O17     -0.85080   0.30155  -0.43330
O18     -0.76088   0.11646  -0.36347
O19      0.86470  -0.29562   0.07121
O20      0.76361  -0.11413   0.13167
O21      0.74716  -0.29499   0.84148
O22      0.65196  -0.11068   0.89614
O23     -0.74828   0.28447   1.32795
O24     -0.65812   0.10029   1.39307
O25      0.29719   0.75626   0.59648
O26      0.10953   0.66389   0.63978
O27     -0.29808  -0.75555   1.08753
O28     -0.12489  -0.64307   1.15920
O29     -0.37423  -0.95420   0.08441
O30      0.37342   0.95341   0.59305
O31      0.95345  -0.34545  -0.16689
O32     -0.95077   0.35149   0.33125
#
#_symmetry_space_group_name_H-M  P 43
#_symmetry_Int_Tables_number   78
#
#   Starting Wyckoff positions:
#
#    1     4a     0.1179   0.9898   0.1536
#    2     4a     0.2327   0.8747  -0.0881
#    3     4a     0.7122  -0.1930   0.7490
#    4     4a    -0.3588  -0.8189   0.1958
#    5     4a    -0.0444  -0.7007   0.2614
#
#   Coordination Sequence :
#
# PCOD7001674 SiB4O8          R =  0.0098   78
#   3
#   4  8  8
#    4  10  16  10  10  10  10  10  10   0
#    3   6  11  13  11  11  10  10  10   0
#    3   5   8  13  16  10  10  10  10   0
#
#_framework_density   19.17
#
