data_PCOD6103797
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB14O24       PCOD6103797 R =  0.0094
Probable space group: P 21/C
;
_chemical_formula_sum  "Al B14 O24"
_cell_formula_units_Z    2
_cell_length_a         15.9274
_cell_length_b         13.6420
_cell_length_c         14.8287
_cell_angle_alpha     90.000
_cell_angle_beta     113.947
_cell_angle_gamma     90.000
_cell_volume          2944.66
_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      0.01133   0.00030   0.50457
Al2      0.00709   0.49793   0.00498
B3     -0.06082  -0.03809   0.27770
B4      0.06531   0.45213   0.22605
B5      0.06991   0.05578  -0.27436
B6     -0.06021   0.54729   0.78113
B7     -0.08568   0.13410   0.20692
B8      0.08936   0.62898   0.29691
B9      0.06969  -0.11712  -0.20058
B10     -0.07803   0.37253   0.70838
B11      0.01098   0.30380  -0.11687
B12     -0.00322   0.80597   0.62225
B13      0.00019  -0.30339   0.12001
B14      0.00813   0.19697   0.38580
B15     -0.09784   0.35007   0.38200
B16      0.09718   0.85731   0.11856
B17      0.10013  -0.34694  -0.37637
B18     -0.09324   0.14829   0.87958
B19     -0.15063   0.30479   0.51879
B20      0.15569   0.81158  -0.01286
B21      0.15415  -0.29846  -0.51692
B22     -0.14388   0.19412   1.01956
B23      0.17440  -0.10327  -0.52896
B24     -0.16059   0.39120   1.03081
B25     -0.15723   0.10786   0.52856
B26      0.16559   0.61668  -0.02278
B27     -0.09700   0.08268  -0.28583
B28      0.10775   0.58437   0.78915
B29      0.10832  -0.06376   0.28261
B30     -0.10485   0.42232   0.21634
O1     -0.05071  -0.04870   0.37404
O2      0.03202   0.12045   0.45142
O3     -0.10192   0.05090   0.49880
O4     -0.01041  -0.11880   0.55787
O5      0.07265   0.05212   0.63401
O6      0.12492  -0.04927   0.51072
O7      0.06764   0.44573   0.13432
O8      0.02795   0.37975  -0.05075
O9      0.11981   0.54999   0.01061
O10     -0.01442   0.61703   0.05869
O11     -0.05540   0.55048  -0.12397
O12     -0.10640   0.44780  -0.00093
O13     -0.10977   0.04133   0.22457
O14      0.01574  -0.06305   0.26120
O15      0.10720   0.53328   0.28136
O16     -0.01279   0.42003   0.23533
O17      0.10004  -0.02725  -0.21703
O18     -0.00683   0.09885  -0.27015
O19     -0.10096   0.46585   0.72514
O20      0.01527   0.58288   0.76835
O21     -0.01701   0.17722   0.28714
O22     -0.09623   0.15747   0.11292
O23      0.02402   0.67781   0.21864
O24      0.11003   0.66039   0.39134
O25      0.11205  -0.16066  -0.10988
O26      0.01458  -0.17101  -0.28123
O27     -0.10586   0.33816   0.61382
O28     -0.00994   0.32580   0.78569
O29     -0.02549   0.21814  -0.09945
O30      0.02817   0.71710   0.60484
O31      0.03540  -0.21851   0.09904
O32     -0.02920   0.28078   0.40642
O33     -0.14355   0.35746   0.44291
O34     -0.13057   0.39205   0.28991
O35      0.14238   0.86772   0.05733
O36      0.13313   0.89940   0.21058
O37      0.14700  -0.34152  -0.43631
O38      0.13431  -0.39253  -0.28581
O39     -0.13957   0.14526   0.94011
O40     -0.12402   0.10217   0.78946
O41     -0.16622   0.20576   0.50399
O42      0.17117   0.71297   0.00672
O43      0.18190  -0.20235  -0.51010
O44     -0.16483   0.29247   1.00983
O45      0.16842  -0.07423  -0.62037
O46     -0.16490   0.41690   1.11875
O47     -0.16024   0.08434   0.61763
O48      0.16669   0.59906  -0.11391
#
#_symmetry_space_group_name_H-M  P 21/C
#_symmetry_Int_Tables_number   14
#
#   Coordination Sequence :
#
# PCOD6103797 AlB14O24        R =  0.0094   14
#   5
#   2  4  8  8  8
#    6   8   8  12  16  26  22  24  28   0
#    3   7  10  12  19  19  26  25  29   0
#    3   5  10  14  15  20  24  28  30   0
#    3   8   9  11  16  20  27  26  28   0
#    3   6  10  13  16  19  23  29  33   0
#
#_framework_density   10.19
#
