data_PCOD6103475
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB8O15        PCOD6103475 R =  0.0094
Probable space group: P 21/M
;
_chemical_formula_sum  "Al B8 O15"
_cell_formula_units_Z    2
_cell_length_a          9.1843
_cell_length_b         12.3393
_cell_length_c         16.5219
_cell_angle_alpha     90.000
_cell_angle_beta     104.381
_cell_angle_gamma     90.000
_cell_volume          1813.72
_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      0.00832  -0.00669   0.50688
Al2     -0.00023   0.49627   0.49920
B3      0.02682   0.24696   0.52820
B4     -0.02516  -0.25143  -0.52651
B5     -0.02737   0.25349   0.67811
B6      0.03617  -0.25010  -0.67649
B7     -0.11652   0.05240   0.66526
B8      0.12571   0.54817  -0.66165
B9      0.12343  -0.05348  -0.65924
B10     -0.12744   0.45045   0.66095
B11     -0.34785  -0.03642   0.45413
B12      0.35124   0.46370  -0.44831
B13      0.35151   0.04570  -0.44771
B14     -0.34784   0.53895   0.44921
B15     -0.61440   0.04083   0.39901
B16      0.61203   0.54540  -0.39688
B17      0.61571  -0.03766  -0.39500
B18     -0.61099   0.45925   0.39698
O1      0.00696   0.14642   0.49135
O2     -0.03283   0.01308   0.61313
O3     -0.20173  -0.00985   0.45539
O4      0.00871  -0.15926   0.52130
O5      0.04940  -0.02580   0.40050
O6      0.21795  -0.00085   0.55731
O7     -0.00370   0.34306   0.48534
O8     -0.04994   0.48129   0.60348
O9     -0.20849   0.50273   0.44498
O10      0.04833   0.51271   0.39467
O11      0.20739   0.49064   0.55423
O12      0.00209   0.64942   0.51207
O13      0.04215   0.25268   0.61320
O14     -0.02976  -0.24629  -0.61020
O15     -0.08900   0.15662   0.69468
O16     -0.09747   0.34746   0.69280
O17      0.09449  -0.15391  -0.69646
O18      0.10031  -0.34693  -0.69025
O19     -0.25716   0.00807   0.65609
O20      0.26457   0.50302  -0.65751
O21      0.26446  -0.01059  -0.65263
O22     -0.26664   0.49541   0.65592
O23     -0.47024   0.00960   0.39949
O24     -0.37180  -0.07457   0.52821
O25      0.47024   0.51269  -0.39343
O26      0.37327   0.43305  -0.52458
O27      0.48030   0.00846  -0.39298
O28      0.36427   0.07695  -0.52572
O29     -0.47177   0.49735   0.39280
O30     -0.36869   0.57167   0.52525
#
#_symmetry_space_group_name_H-M  P 21/M
#_symmetry_Int_Tables_number   11
#
#   Coordination Sequence :
#
# PCOD6103475 AlB8O15         R =  0.0094   11
#   5
#   2  2  2  8  4
#    6   8  14  16  26  24  34  32  46   0
#    3  10  12  18  19  32  29  38  35   0
#    3   4  10  12  23  24  35  34  45   0
#    3   7   8  17  19  29  28  40  36   0
#    3   4  10  12  23  23  36  32  44   0
#
#_framework_density    9.92
#
