data_PCOD6103393
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB8O15        PCOD6103393 R =  0.0062
Probable space group: P 2/M
;
_chemical_formula_sum  "Al B8 O15"
_cell_formula_units_Z    1
_cell_length_a          6.3779
_cell_length_b         10.4641
_cell_length_c         14.1946
_cell_angle_alpha     90.000
_cell_angle_beta     104.787
_cell_angle_gamma     90.000
_cell_volume           915.97
_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      0.01038   0.50043   0.50313
B2      0.33567   0.51041   0.36214
B3     -0.32012   0.50399  -0.35923
B4     -0.59890   0.31420  -0.39301
B5      0.62743   0.31918   0.39613
B6      0.62555  -0.30752   0.39821
B7     -0.61467  -0.30624  -0.39829
B8      0.48768   0.13403   0.49153
B9      0.52449  -0.12319   0.50459
O1      0.16711   0.50213   0.40577
O2     -0.16838   0.36707   0.43581
O3     -0.14559   0.50039   0.60062
O4      0.20647   0.37730   0.57499
O5     -0.18759   0.62222   0.43036
O6      0.18680   0.63574   0.56927
O7      0.46083   0.40361   0.36065
O8      0.43530   0.62687   0.36123
O9     -0.42197   0.38956  -0.35250
O10     -0.43807   0.61490  -0.36523
O11     -0.56996   0.19922  -0.43484
O12      0.57594   0.20212   0.42831
O13      0.61269  -0.19104   0.44122
O14     -0.58013  -0.19042  -0.43770
O15      0.47520   0.00354   0.48640
#
#_symmetry_space_group_name_H-M  P 2/M
#_symmetry_Int_Tables_number   10
#
#   Coordination Sequence :
#
# PCOD6103393 AlB8O15         R =  0.0062   10
#   4
#   1  2  4  2
#    6  10   6  14  24  26  26  22  34   0
#    3   8  11  12  18  28  28  26  32   0
#    3   8  12  13  19  26  26  30  33   0
#    3   6  12  19  16  17  32  36  33   0
#
#_framework_density    9.83
#
