data_PCOD6103350
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB14O24       PCOD6103350 R =  0.0089
Probable space group: P 2/M
;
_chemical_formula_sum  "Al B14 O24"
_cell_formula_units_Z    1
_cell_length_a         15.6072
_cell_length_b         15.7264
_cell_length_c          7.1287
_cell_angle_alpha     90.000
_cell_angle_beta     106.413
_cell_angle_gamma     90.000
_cell_volume          1678.41
_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      0.00133  -0.00089   0.50088
B2     -0.00790   0.20557   0.50538
B3      0.00932  -0.20761   0.49320
B4     -0.04508  -0.24630   0.12387
B5      0.05418  -0.24153  -0.13268
B6      0.04832   0.24574  -0.12466
B7     -0.05118   0.24309   0.13138
B8      0.17242  -0.11888   0.01713
B9     -0.16397  -0.12247  -0.00403
B10     -0.16922   0.12135  -0.01951
B11      0.16752   0.12339   0.00907
B12     -0.19410   0.00203   0.20543
B13      0.19788   0.00001  -0.20581
B14     -0.09004  -0.00107  -0.16084
B15      0.09579   0.00191   0.16975
O1      0.00794   0.11970   0.51417
O2     -0.00505  -0.12141   0.48776
O3     -0.12287   0.00652   0.37176
O4      0.02775   0.00188   0.25649
O5      0.12567  -0.00688   0.63082
O6     -0.02425  -0.00330   0.74605
O7     -0.01567   0.24678   0.33128
O8      0.00572   0.24945   0.67821
O9     -0.00114  -0.25078   0.32073
O10      0.02008  -0.24925   0.66778
O11      0.00197  -0.25767  -0.01065
O12     -0.12064  -0.19664   0.07104
O13      0.12937  -0.19235  -0.06244
O14      0.00143   0.25857   0.00935
O15      0.12504   0.19774  -0.06679
O16     -0.12748   0.19563   0.05927
O17      0.21610  -0.07220  -0.09150
O18      0.13456  -0.07290   0.13798
O19     -0.20462  -0.07517   0.10935
O20     -0.12798  -0.07621  -0.12731
O21     -0.21112   0.07463   0.09250
O22     -0.12868   0.07480  -0.13443
O23      0.20724   0.07658  -0.10730
O24      0.13166   0.07784   0.13369
#
#_symmetry_space_group_name_H-M  P 2/M
#_symmetry_Int_Tables_number   10
#
#   Coordination Sequence :
#
# PCOD6103350 AlB14O24        R =  0.0089   10
#   6
#   1  2  4  4  2  2
#    6  12   8   6   8  12   8   6  12   0
#    3   9  12   8  10  12   8  10  12   0
#    3   6  10  13  11   9  11  10   9   0
#    3   5  12  14   8   6   9  12   8   0
#    3   8  11   9   9   8   9   8   9   0
#    3   8  13   9   9   8   9  10   8   0
#
#_framework_density    8.94
#
