data_PCOD6101472
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB10O18       PCOD6101472 R =  0.0090
Probable space group: P 42/M
;
_chemical_formula_sum  "Al B10 O18"
_cell_formula_units_Z    2
_cell_length_a         15.0353
_cell_length_b         15.0353
_cell_length_c          7.5961
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1717.19
_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      0.93378   0.65456   0.33424
B2      0.06195   0.35113   0.33191
B3      0.34752   0.93381   0.82895
B4      0.65212   0.06976   0.83162
B5      0.07290   0.34807   0.67519
B6      0.94096   0.64950   0.68544
B7      0.64999   0.06288   0.18179
B8      0.34967   0.93112   0.17336
B9      0.04498   0.52335   0.33506
B10      0.51613  -0.03141   0.83216
B11      0.05320   0.52003  -0.32283
B12      0.51898  -0.04301   0.17743
B13      0.21298   0.02733   0.31404
B14     -0.20344  -0.01572   0.32368
B15     -0.01441   0.20681   0.82567
B16      0.01642  -0.20654   0.82615
B17     -0.20680  -0.01101  -0.32526
B18      0.20952   0.01589  -0.33325
B19      0.01220  -0.20971   0.17423
B20     -0.01957   0.20774   0.17762
Al21      0.00509  -0.00114   0.24305
Al22      0.00227   0.00018  -0.25675
O1      0.91505   0.65404   0.51192
O2      0.98038   0.58090   0.27620
O3      0.95185   0.73319   0.24882
O4      0.09488   0.34021   0.49983
O5      0.04339   0.43644   0.27677
O6      0.01764   0.28062   0.25797
O7      0.42937   0.96483   0.77418
O8      0.34167   0.90468   1.00035
O9      0.27291   0.96146   0.74032
O10      0.57448   0.03201   0.76992
O11      0.65164   0.09005   1.00828
O12      0.73024   0.04061   0.75638
O13      0.03136   0.27681   0.75310
O14      0.05488   0.43294   0.73366
O15      0.95859   0.73076   0.76123
O16      0.98860   0.57651   0.74071
O17      0.57357   0.02272   0.24367
O18      0.73039   0.03430   0.24729
O19      0.43374   0.94546   0.23980
O20      0.28437   0.98731   0.23403
O21      0.07671   0.53478   0.50394
O22      0.53117  -0.06152   1.00109
O23      0.13046   0.01424   0.24136
O24      0.21739   0.04014   0.49306
O25     -0.12044  -0.01610   0.24791
O26     -0.21463  -0.03345   0.49984
O27     -0.03771   0.21253   1.00029
O28     -0.01578   0.12541   0.74362
O29      0.03775  -0.21643   1.00099
O30      0.02101  -0.12489   0.74597
O31     -0.12276  -0.01739  -0.25529
O32      0.12730   0.01880  -0.25510
O33      0.02051  -0.12627   0.24622
O34     -0.00940   0.12433   0.24786
O35      0.00243  -0.00010  -0.00660
O36      0.00480  -0.00054   0.49365
#
#_symmetry_space_group_name_H-M  P 42/M
#_symmetry_Int_Tables_number   84
#
#   Coordination Sequence :
#
# PCOD6101472 AlB10O18        R =  0.0090   84
#   4
#   8  4  8  2
#    3   5   9  17  28  39  51  65   0   0
#    3   4   6  14  27  40  51  64   0   0
#    3   8  16  23  30  41  54  72   0   0
#    6  14  22  30  38  46  62  86   0   0
#
#_framework_density   12.81
#
