data_PCOD6102375
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB8O15        PCOD6102375 R =  0.0088
Probable space group: P M M A
;
_chemical_formula_sum  "Al B8 O15"
_cell_formula_units_Z    2
_cell_length_a          7.4471
_cell_length_b         14.8911
_cell_length_c         13.2225
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1466.31
_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     -0.00087   0.50053   0.49990
Al2      0.49877   0.50048   0.49798
B3     -0.00455   0.28329   0.50348
B4      0.51030  -0.28085   0.49972
B5      0.00083  -0.28106   0.50703
B6      0.49934   0.28131   0.49925
B7      0.24357   0.24212   0.37375
B8      0.25268  -0.23938   0.37784
B9     -0.26019   0.23773  -0.36854
B10     -0.24989  -0.24406  -0.36318
B11      0.25496  -0.36867   0.23372
B12      0.23629   0.37517   0.23511
B13     -0.25167  -0.37917  -0.22904
B14     -0.26139   0.36516  -0.22785
B15      0.51119   0.49682   0.73678
B16     -0.02385   0.48916   0.73759
B17     -0.51972   0.50007  -0.73941
B18      1.01240   0.50779  -0.73804
O1      0.24850   0.49362   0.47106
O2     -0.02132   0.37389   0.48815
O3      0.04480   0.48826   0.64073
O4     -0.25136   0.50733   0.52711
O5      0.01677   0.62733   0.51238
O6     -0.05087   0.51260   0.35958
O7      0.51314   0.37315   0.49811
O8      0.44865   0.49875   0.63898
O9      0.48615   0.62780   0.49886
O10      0.54929   0.50124   0.35717
O11      0.09294   0.23515   0.43395
O12     -0.10175   0.24119   0.57776
O13      0.40966  -0.23127   0.43267
O14      0.59346  -0.24174   0.58127
O15      0.09649  -0.23644   0.43387
O16     -0.09401  -0.23688   0.58091
O17      0.40521   0.23843   0.42429
O18      0.58521   0.23397   0.57413
O19      0.23342   0.29679   0.29008
O20      0.25622  -0.29271   0.29290
O21     -0.26687   0.28455  -0.27884
O22     -0.24602  -0.29805  -0.27867
O23      0.09638  -0.41603   0.22577
O24      0.40879  -0.41979   0.22709
O25      0.39565   0.42211   0.23037
O26      0.08196   0.42613   0.23214
O27     -0.09900  -0.43132  -0.22992
O28     -0.41230  -0.42514  -0.22731
O29     -0.10033   0.41084  -0.22757
O30     -0.41438   0.41735  -0.23030
#
#_symmetry_space_group_name_H-M  P M M A
#_symmetry_Int_Tables_number   51
#
#   Coordination Sequence :
#
# PCOD6102375 AlB8O15         R =  0.0088   51
#   5
#   2  4  4  4  4
#    6  18  18  18  18  18  18  18   0   0
#    3   9  14  16  18  18  18  18   0   0
#    3   6  11  15  16  18  18  18   0   0
#    3   5   9  16  18  18  18  18   0   0
#    3   8  13  18  18  18  18  18   0   0
#
#_framework_density   12.28
#
