data_PCOD6101090
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB10O18       PCOD6101090 R =  0.0094
Probable space group: P 4/M M M
;
_chemical_formula_sum  "Al B10 O18"
_cell_formula_units_Z    2
_cell_length_a         15.0419
_cell_length_b         15.0419
_cell_length_c          7.5830
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1715.73
_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      0.58765   0.00398  -0.01682
B2      0.40804   0.00236   0.00612
B3     -0.00167   0.58874  -0.00052
B4     -0.00128   0.40717   0.01466
B5      0.27301   0.11259  -0.00532
B6     -0.28345  -0.11304  -0.00455
B7     -0.11413   0.27346   0.00290
B8      0.11498  -0.28163  -0.01224
B9     -0.28346   0.12195  -0.01933
B10      0.28430  -0.12192   0.00356
B11      0.11717   0.27984   0.00851
B12     -0.12693  -0.28558   0.00580
B13     -0.15709  -0.14937   0.21299
B14      0.15266   0.14810   0.22483
B15      0.14923  -0.15315   0.20789
B16     -0.15558   0.14722   0.21334
B17      0.14168   0.15388  -0.21544
B18     -0.15524  -0.15841  -0.21218
B19     -0.15330   0.14806  -0.22465
B20      0.15635  -0.15296  -0.21798
Al21     -0.00254  -0.00581  -0.23835
Al22     -0.00112  -0.00094   0.26165
O1      0.49701   0.00433  -0.03308
O2      0.63385  -0.07459  -0.00920
O3      0.63413   0.08246  -0.01721
O4      0.35718   0.07749  -0.01597
O5      0.36430  -0.07786   0.00860
O6     -0.00307   0.49771  -0.00485
O7      0.07651   0.63559  -0.01234
O8     -0.07907   0.63676   0.01314
O9     -0.07724   0.35690   0.00028
O10      0.07843   0.36243   0.01886
O11      0.22993   0.11393   0.15473
O12      0.22246   0.12302  -0.15516
O13     -0.23631  -0.11590   0.15104
O14     -0.23499  -0.12251  -0.15747
O15     -0.12618   0.22981   0.16066
O16     -0.11629   0.22282  -0.14844
O17      0.11844  -0.23243   0.14060
O18      0.12533  -0.23550  -0.16761
O19     -0.23079   0.11663   0.12897
O20     -0.24054   0.13196  -0.17848
O21      0.23245  -0.12640   0.15311
O22      0.23885  -0.12942  -0.15353
O23      0.12663   0.22956   0.15914
O24      0.11506   0.23513  -0.14982
O25     -0.13345  -0.23279   0.15357
O26     -0.13773  -0.24360  -0.15437
O27     -0.08965  -0.09106   0.25208
O28      0.08686   0.08939   0.27290
O29      0.08895  -0.08937   0.25773
O30     -0.09221   0.08672   0.26575
O31      0.07761   0.09171  -0.25204
O32     -0.08347  -0.10240  -0.22747
O33     -0.09976   0.07483  -0.24409
O34      0.09473  -0.08611  -0.23629
O35      0.00035   0.00244   0.01135
O36     -0.00460  -0.00901  -0.48867
#
#_symmetry_space_group_name_H-M  P 4/M M M
#_symmetry_Int_Tables_number  123
#
#   Coordination Sequence :
#
# PCOD6101090 AlB10O18        R =  0.0094  123
#   4
#   4  8  8  2
#    3   6   8  12  24  47  58   0   0   0
#    3   5  11  20  34  32  58   0   0   0
#    3   8  17  24  32  38  58   0   0   0
#    6  18  22  26  34  50  66   0   0   0
#
#_framework_density   12.82
#
