data_PCOD6103418
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB14O24       PCOD6103418 R =  0.0095
Probable space group: P 2/M
;
_chemical_formula_sum  "Al B14 O24"
_cell_formula_units_Z    1
_cell_length_a         14.1428
_cell_length_b         10.5921
_cell_length_c         11.7307
_cell_angle_alpha     90.000
_cell_angle_beta     109.058
_cell_angle_gamma     90.000
_cell_volume          1660.96
_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      0.50016   0.49650   0.00092
B2      0.50472   0.49560  -0.27048
B3     -0.50495   0.49090   0.27016
B4     -0.47740   0.27252   0.39328
B5      0.46716   0.28099  -0.40682
B6      0.45324  -0.29172  -0.40825
B7     -0.50358  -0.28279   0.38180
B8     -0.39856  -0.13185   0.28613
B9      0.38671  -0.12968  -0.27820
B10      0.39997   0.12130  -0.27702
B11     -0.37397   0.12504   0.28994
B12     -0.41479  -0.24689   0.07916
B13      0.40850  -0.24639  -0.07148
B14      0.40799   0.24148  -0.07376
B15     -0.41518   0.23847   0.07687
O1      0.52820   0.49695  -0.14712
O2      0.40075   0.37055  -0.06249
O3      0.47016   0.49720   0.14735
O4      0.59624   0.36674   0.06302
O5      0.40177   0.62427  -0.06162
O6      0.59708   0.62556   0.06268
O7      0.49650   0.38364  -0.33196
O8      0.48944   0.60714  -0.33348
O9     -0.51167   0.37733   0.32315
O10     -0.49599   0.59991   0.33585
O11     -0.41214   0.19192   0.36538
O12     -0.49238   0.26332   0.50281
O13      0.42520   0.18001  -0.36755
O14      0.40686  -0.19536  -0.36851
O15      0.47983  -0.27490  -0.50957
O16     -0.46062  -0.18178   0.34357
O17     -0.37971  -0.00446   0.29125
O18     -0.38183  -0.20065   0.19520
O19      0.41635  -0.00594  -0.25989
O20      0.37046  -0.19536  -0.18526
O21      0.38156   0.19295  -0.18898
O22     -0.36930   0.18451   0.18778
O23     -0.50265  -0.19567   0.00289
O24      0.49314   0.19040   0.00841
#
#_symmetry_space_group_name_H-M  P 2/M
#_symmetry_Int_Tables_number   10
#
#   Coordination Sequence :
#
# PCOD6103418 AlB14O24        R =  0.0095   10
#   5
#   1  2  4  4  4
#    6   8   8  14  20  22  24  28  30  36
#    3   9   9  13  18  25  25  25  33  36
#    3   6  11  15  18  21  25  29  32  37
#    3   6  11  14  16  21  25  29  34  35
#    3   7   9  12  17  22  25  29  31  35
#
#_framework_density    9.03
#
