data_PCOD6103398
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB10O18       PCOD6103398 R =  0.0114
Probable space group: P 2/M
;
_chemical_formula_sum  "Al B10 O18"
_cell_formula_units_Z    1
_cell_length_a         15.6696
_cell_length_b         10.7502
_cell_length_c          8.5637
_cell_angle_alpha     90.000
_cell_angle_beta      93.282
_cell_angle_gamma     90.000
_cell_volume          1440.20
_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     -0.00505   0.00213   0.50516
B2      0.11234  -0.00121   0.20918
B3     -0.11946  -0.00052  -0.19591
B4      0.08537  -0.19043   0.00625
B5     -0.08370  -0.18901   0.00107
B6     -0.08813   0.19159  -0.00133
B7      0.08343   0.18444   0.01010
B8     -0.13066   0.12702   0.27537
B9      0.12834   0.11076  -0.26976
B10      0.12478  -0.12421  -0.27533
B11     -0.13538  -0.10890   0.27384
O1      0.07834  -0.00760   0.35319
O2     -0.06367   0.12941   0.38756
O3     -0.07245  -0.11916   0.39306
O4     -0.08834   0.00991   0.65787
O5      0.06201   0.12337   0.61814
O6      0.05331  -0.12579   0.62241
O7      0.11471  -0.10624   0.11794
O8      0.11262   0.11219   0.13456
O9     -0.11163  -0.11340  -0.12087
O10     -0.12173   0.10543  -0.10638
O11      0.00077  -0.22524   0.00819
O12      0.12033  -0.18924  -0.13751
O13     -0.12267  -0.17631   0.14030
O14     -0.00184   0.21579  -0.00099
O15     -0.12351   0.19751   0.14229
O16      0.12206   0.17211  -0.12970
O17     -0.16684   0.01055   0.25286
O18      0.16244  -0.00791  -0.26104
#
#_symmetry_space_group_name_H-M  P 2/M
#_symmetry_Int_Tables_number   10
#
#   Coordination Sequence :
#
# PCOD6103398 AlB10O18        R =  0.0114   10
#   4
#   1  2  4  4
#    6   8   6   2   6   8   6   2   6   0
#    3   9   6   6   5   6   5   6   5   0
#    3   6   8   8   6   2   6   8   6   0
#    3   7   7   7   5   6   5   6   5   0
#
#_framework_density    7.64
#
