data_PCOD6101412
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB8O15        PCOD6101412 R =  0.0104
Probable space group: P 4/M
;
_chemical_formula_sum  "Al B8 O15"
_cell_formula_units_Z    2
_cell_length_a         13.8132
_cell_length_b         13.8132
_cell_length_c          7.5657
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1443.58
_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
Al1     -0.00188  -0.00246   0.74934
Al2     -0.00148  -0.00067   0.24910
B3      0.19134   0.13508   0.20399
B4     -0.18988  -0.13493   0.21149
B5     -0.13455   0.19312   0.21765
B6      0.13698  -0.19090   0.21753
B7     -0.19388  -0.13470  -0.23399
B8      0.19334   0.13079  -0.22309
B9      0.13553  -0.19331  -0.21661
B10     -0.13694   0.19044  -0.22259
B11      0.14691   0.27027  -0.01667
B12     -0.14180  -0.26955  -0.00746
B13     -0.27249   0.14700  -0.00443
B14      0.27344  -0.14353   0.00168
B15     -0.30188  -0.04241  -0.01506
B16      0.30889   0.04581  -0.00523
B17      0.04721  -0.30574  -0.00180
B18     -0.04364   0.30195  -0.00287
O1      0.00910   0.00504   0.49925
O2     -0.01228  -0.00797   0.99938
O3     -0.11497  -0.07877   0.72279
O4      0.11205   0.07341   0.77041
O5      0.07487  -0.11661   0.74952
O6     -0.07913   0.11135   0.74673
O7      0.10928   0.07998   0.22729
O8     -0.11263  -0.08110   0.27082
O9     -0.08178   0.11083   0.25362
O10      0.07977  -0.11141   0.25003
O11      0.17831   0.22728   0.13778
O12      0.27348   0.08747   0.14770
O13     -0.17001  -0.22669   0.14909
O14     -0.26639  -0.08660   0.13499
O15     -0.22512   0.17746   0.14610
O16     -0.08322   0.27144   0.15494
O17      0.22912  -0.17256   0.15618
O18      0.08936  -0.27087   0.15071
O19     -0.17384  -0.22320  -0.15802
O20     -0.27323  -0.08414  -0.17211
O21      0.17690   0.22506  -0.17005
O22      0.27653   0.08752  -0.16013
O23      0.22607  -0.17229  -0.15012
O24      0.09220  -0.27700  -0.15623
O25     -0.22963   0.17435  -0.16171
O26     -0.09082   0.27075  -0.15350
O27      0.05552   0.30995  -0.01337
O28     -0.05212  -0.31279  -0.00835
O29     -0.31394   0.05634  -0.00537
O30      0.31648  -0.05361  -0.00223
#
#_symmetry_space_group_name_H-M  P 4/M
#_symmetry_Int_Tables_number   83
#
#   Coordination Sequence :
#
# PCOD6101412 AlB8O15         R =  0.0104   83
#   3
#   2  8  8
#    6  18  18  18  18  18  18   0   0   0
#    3   8  13  18  18  18  18   0   0   0
#    3   5   8  13  26  10  26   0   0   0
#
#_framework_density   12.47
#
