data_PCOD6100280
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
AlB8O15        PCOD6100280 R =  0.0093
Probable space group: R 3 2
;
_chemical_formula_sum  "Al B8 O15"
_cell_formula_units_Z    3
_cell_length_a         12.1087
_cell_length_b         12.1087
_cell_length_c         14.6976
_cell_angle_alpha     90.000
_cell_angle_beta      90.000
_cell_angle_gamma    120.000
_cell_volume          1866.24
_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
B1      0.00423   0.00102   0.24261
B2      0.00225   0.00111   0.75512
B3      0.67295   0.33477   0.57191
B4      0.65990   0.32839   0.08132
B5      0.32149   0.66304   0.90260
B6      0.33668   0.66336   0.41343
B7      0.24351  -0.22352   0.32047
B8      0.23133   0.46348   0.31769
B9     -0.45519  -0.23577   0.30867
B10     -0.23687   0.22409  -0.33000
B11      0.46510   0.22961  -0.33351
B12     -0.22074  -0.45966  -0.32959
B13     -0.08713   0.11588   0.65836
B14     -0.10175   0.80048   0.65711
B15     -0.79313   0.10182   0.65355
B16     -0.58321   0.55015  -0.00650
B17      0.12273   0.57356   0.01017
B18     -0.55257  -0.13075  -0.00560
B19      0.57221  -0.55357  -0.01654
B20      0.54468   0.12679  -0.01563
B21     -0.13259  -0.58350  -0.01332
B22      0.10699  -0.09992  -0.65985
B23      0.79742  -0.09952  -0.65802
B24      0.10527  -0.79168  -0.66541
Al25      0.00327   0.00696   0.49663
Al26     -0.33350   0.33382  -0.17253
Al27      0.34020  -0.32880   0.15751
O1      0.07483  -0.05666   0.26367
O2      0.06406   0.13039   0.25937
O3     -0.12239  -0.06677   0.26840
O4     -0.06295   0.06397   0.73364
O5      0.12886   0.06501   0.72853
O6     -0.06247  -0.12777   0.73545
O7      0.54423   0.27246   0.59193
O8      0.73428   0.26750   0.59217
O9      0.73903   0.46252   0.59482
O10      0.58562   0.19959   0.06212
O11      0.60639   0.40201   0.05828
O12      0.78764   0.38074   0.06107
O13      0.19720   0.61027   0.93305
O14      0.37897   0.59082   0.91848
O15      0.39717   0.79201   0.91934
O16      0.26485   0.53400   0.39652
O17      0.27468   0.73093   0.39628
O18      0.45981   0.72033   0.38013
O19      0.27953  -0.24674   0.23721
O20      0.17361  -0.16342   0.33096
O21      0.27181   0.52737   0.23642
O22      0.19087   0.33568   0.32336
O23     -0.50270  -0.25538   0.22173
O24     -0.33032  -0.14730   0.32698
O25     -0.25620   0.26285  -0.24677
O26     -0.17414   0.15647  -0.33520
O27      0.52001   0.25704  -0.24865
O28      0.33618   0.18200  -0.33983
O29     -0.26006  -0.51705  -0.24602
O30     -0.16505  -0.32999  -0.33882
O31     -0.05792   0.09118   0.57331
O32     -0.07395   0.86214   0.57466
O33     -0.84575   0.07479   0.56788
O34     -0.50490   0.49899  -0.01206
O35     -0.60174   0.58754   0.07764
O36     -0.00383   0.48460   0.00118
O37      0.18294   0.59759   0.09305
O38     -0.51145  -0.00319  -0.01258
O39     -0.59182  -0.18539   0.07872
O40      0.58839  -0.59431  -0.10020
O41      0.59375   0.18639  -0.09736
O42     -0.18609  -0.59048  -0.09697
O43      0.06646  -0.07786  -0.57786
O44      0.85093  -0.06259  -0.57308
O45      0.08084  -0.84827  -0.58117
#
#_symmetry_space_group_name_H-M  R 3 2
#_symmetry_Int_Tables_number  155
#
#   Coordination Sequence :
#
# PCOD6100280 AlB8O15         R =  0.0093  155
#   3
#   6 18  3
#    3   4   9  19  24  39  69  75  92 141
#    3   7  11  16  35  51  56  87 115 119
#    6   8  12  30  36  42  78  90  94 150
#
#_framework_density   14.47
#
