data_PCOD6103413
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB8O15        PCOD6103413 R =  0.0083
Probable space group: P 2/M
;
_chemical_formula_sum  "Al B8 O15"
_cell_formula_units_Z    1
_cell_length_a          8.9199
_cell_length_b         15.6118
_cell_length_c          6.3793
_cell_angle_alpha     90.000
_cell_angle_beta      98.612
_cell_angle_gamma     90.000
_cell_volume           878.34
_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     -0.00249  -0.00018   0.49213
B2      0.22967  -0.10720   0.27813
B3     -0.23958  -0.10934  -0.29186
B4     -0.23292   0.10967  -0.29333
B5      0.23319   0.11263   0.27985
B6     -0.20539  -0.00137   0.02206
B7      0.19759   0.00583  -0.03496
B8      0.51317  -0.08406   0.44542
B9      0.51527   0.08750   0.45140
O1      0.12356  -0.08776   0.40723
O2      0.12442   0.08474   0.39614
O3     -0.12300  -0.00293   0.22110
O4     -0.12960  -0.08414   0.59091
O5     -0.12789   0.08751   0.57879
O6      0.11819   0.00346   0.76408
O7      0.21208  -0.06858   0.08199
O8      0.37565  -0.12180   0.37647
O9     -0.22911  -0.07709  -0.08875
O10     -0.38344  -0.12221  -0.40167
O11     -0.21583   0.07312  -0.09447
O12     -0.37883   0.12307  -0.39475
O13      0.22111   0.08154   0.07532
O14      0.37731   0.12584   0.38722
O15      0.52919   0.00188   0.40669
#
#_symmetry_space_group_name_H-M  P 2/M
#_symmetry_Int_Tables_number   10
#
#   Coordination Sequence :
#
# PCOD6103413 AlB8O15         R =  0.0083   10
#   4
#   1  4  2  2
#    6  10  10  14  22  24  26  34  38   0
#    3   8  13  17  20  24  28  31  36   0
#    3   8  13  14  18  26  30  30  35   0
#    3   6  10  20  20  20  32  32  30   0
#
#_framework_density   10.25
#
