data_PCOD6103354
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB10O18       PCOD6103354 R =  0.0094
Probable space group: P 2/M
;
_chemical_formula_sum  "Al B10 O18"
_cell_formula_units_Z    1
_cell_length_a          7.8908
_cell_length_b         14.9788
_cell_length_c         13.3446
_cell_angle_alpha     90.000
_cell_angle_beta     109.642
_cell_angle_gamma     90.000
_cell_volume          1485.48
_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
B1      0.65113   0.49973   0.30540
B2      0.33831   0.50347   0.69299
B3      0.14260   0.64802   0.63296
B4     -0.16034   0.64730  -0.64248
B5     -0.15923  -0.64686  -0.64046
B6      0.14889  -0.64020   0.63700
Al7      0.49001   0.50030   0.49655
B8      0.18365   0.64868  -0.55538
B9     -0.20279   0.64889   0.54495
B10     -0.19873  -0.64557   0.54703
B11      0.18760  -0.64966  -0.55216
O1      0.54335   0.49915   0.36774
O2      0.73609   0.57876   0.29890
O3      0.74042   0.42190   0.29965
O4      0.24838   0.58199   0.69555
O5      0.43640   0.50146   0.62508
O6      0.25327   0.42494   0.70173
O7     -0.03659   0.64835   0.62390
O8      0.18438   0.67283   0.54452
O9      0.01815   0.64920  -0.63459
O10     -0.20218   0.67327  -0.55447
O11      0.02043  -0.65110  -0.63012
O12     -0.20297  -0.67163  -0.55274
O13     -0.03188  -0.64057   0.62459
O14      0.19304  -0.66719   0.55024
O15      0.66700   0.59015   0.55106
O16      0.31341   0.58992   0.43857
O17      0.66717   0.41071   0.55332
O18      0.31245   0.41117   0.43925
#
#_symmetry_space_group_name_H-M  P 2/M
#_symmetry_Int_Tables_number   10
#
#   Coordination Sequence :
#
# PCOD6103354 AlB10O18        R =  0.0094   10
#   3
#   6  4  1
#    3   7   7   7   5   6   5   6   5   0
#    3   4   9   9   6   2   6   8   6   0
#    6   8   6   2   6   8   6   2   6   0
#
#_framework_density    7.41
#
