data_PCOD6103363
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
Al2B6O15       PCOD6103363 R =  0.0103
Probable space group: P 2/M
;
_chemical_formula_sum  "Al2 B6 O15"
_cell_formula_units_Z    1
_cell_length_a          6.9338
_cell_length_b          9.1395
_cell_length_c         16.4086
_cell_angle_alpha     90.000
_cell_angle_beta      98.647
_cell_angle_gamma     90.000
_cell_volume          1028.01
_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      0.51255   0.50623  -0.00217
Al2      0.01147   0.50670  -0.00138
B3      0.29332   0.28161   0.08790
B4     -0.26845   0.28123  -0.09035
B5     -0.27123  -0.26819  -0.09113
B6      0.29618  -0.27199   0.09065
B7     -0.32909   0.00598  -0.03985
B8      0.35861   0.00418   0.04474
O1      0.24436   0.50671  -0.04996
O2      0.45543   0.35841   0.07235
O3      0.77893   0.50569   0.04713
O4      0.56812   0.35967  -0.07761
O5      0.45759   0.65232   0.07368
O6      0.56640   0.65428  -0.07704
O7      0.12008   0.35843   0.07322
O8     -0.09647   0.35971  -0.07691
O9     -0.09791   0.65528  -0.07562
O10      0.12158   0.65341   0.07387
O11      0.28907   0.13456   0.07007
O12     -0.26362   0.13647  -0.06683
O13     -0.26834  -0.12172  -0.07212
O14      0.29473  -0.12389   0.07537
O15     -0.48300   0.00343   0.00367
#
#_symmetry_space_group_name_H-M  P 2/M
#_symmetry_Int_Tables_number   10
#
#   Coordination Sequence :
#
# PCOD6103363 Al2B6O15        R =  0.0103   10
#   3
#   2  4  2
#    6  10  14  20  26  30  34  40   0   0
#    3   9  13  19  25  30  35  40   0   0
#    3   6  12  19  24  30  36  40   0   0
#
#_framework_density    7.78
#
