data_PCOD6101346
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB10O18       PCOD6101346 R =  0.0109
Probable space group: P 42
;
_chemical_formula_sum  "Al B10 O18"
_cell_formula_units_Z    2
_cell_length_a         15.2499
_cell_length_b         15.2499
_cell_length_c          7.5938
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma     90.000
_cell_volume          1766.00
_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      0.49768   0.50046   0.41180
Al2      0.50081   0.49764   0.91182
B3      0.29751   0.46427   0.33002
B4     -0.30118  -0.44543   0.34594
B5     -0.45788   0.29593   0.83867
B6      0.45016  -0.30378   0.84958
B7     -0.46205   0.29959   0.49598
B8      0.46020  -0.30117   0.50425
B9     -0.29730  -0.46819   1.00141
B10      0.29783   0.46529   0.98255
B11     -0.15579  -0.55831   1.04459
B12      0.15062   0.55041   0.99615
B13      0.55343  -0.15700   1.53542
B14     -0.55208   0.15350   1.51925
B15      0.01280   0.45093   1.03949
B16      0.54384   0.01205   1.54330
B17      0.01126   0.48009   1.37480
B18      0.53003   0.00948   1.88166
B19      0.54104  -0.15921   0.87275
B20     -0.55457   0.15236   0.85808
B21      0.15608   0.56344   1.33557
B22     -0.15632  -0.52830   1.38559
O1      0.50194   0.50103   0.66209
O2      0.37579   0.47540   0.41669
O3      0.52331   0.37859   0.41339
O4      0.47320   0.62273   0.41069
O5      0.49643   0.49774   0.16206
O6      0.61972   0.52522   0.40944
O7      0.37709   0.48322   0.90404
O8      0.51526   0.37397   0.91162
O9      0.48646   0.62130   0.91816
O10      0.62464   0.51233   0.91986
O11      0.29947   0.43901   0.15609
O12      0.22702   0.51333   0.38623
O13     -0.29854  -0.43116   0.16668
O14     -0.22511  -0.47318   0.42676
O15     -0.43054   0.30032   0.66608
O16     -0.49811   0.22051   0.89724
O17      0.42826  -0.30748   0.67366
O18      0.48252  -0.22528   0.91142
O19     -0.51739   0.23095   0.45669
O20      0.50756  -0.22663   0.46582
O21     -0.22445  -0.51742   0.96007
O22      0.22664   0.51432   0.92995
O23     -0.16321  -0.56936   1.22405
O24     -0.07241  -0.54784   0.97799
O25      0.07434   0.50458   0.96258
O26      0.15587   0.58836   1.16076
O27      0.53565  -0.07251   1.48104
O28      0.57979  -0.16428   1.70868
O29     -0.50810   0.07748   1.47409
O30     -0.58610   0.15410   1.68761
O31      0.02082   0.43560   1.21799
O32      0.56741   0.02116   1.71752
O33      0.07598   0.54114   1.40732
O34     -0.07263   0.49492   1.43537
O35      0.52245  -0.07643   1.93570
O36      0.46735   0.07098   1.92466
#
#_symmetry_space_group_name_H-M  P 42
#_symmetry_Int_Tables_number   77
#
#   Coordination Sequence :
#
# PCOD6101346 AlB10O18        R =  0.0109   77
#   4
#   2  8  8  4
#    6  14  22  30  38  46  62  86   0   0
#    3   7  14  22  30  41  55  74   0   0
#    3   4   7  14  25  40  55  68   0   0
#    3   4   4  10  24  40  55  68   0   0
#
#_framework_density   12.46
#
