data_PCOD6103414
_publ_section_title
;
Structure prediction by GRINSP 2.00 - 2006 (A. Le Bail)
Al3B4O15       PCOD6103414 R =  0.0106
Probable space group: P 2/M
;
_chemical_formula_sum  "Al3 B4 O15"
_cell_formula_units_Z    1
_cell_length_a         10.0989
_cell_length_b         14.1122
_cell_length_c          5.0459
_cell_angle_alpha     90.000
_cell_angle_beta      99.567
_cell_angle_gamma     90.000
_cell_volume           709.13
_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     -0.00625   0.01854   0.51299
Al2     -0.31600   0.01403   0.09443
Al3      0.30327   0.01191  -0.07026
B4      0.23730   0.12959   0.41445
B5     -0.25290   0.12976  -0.38571
B6     -0.24531  -0.10169  -0.39256
B7      0.23468  -0.10187   0.41269
O1     -0.12529   0.01815   0.17835
O2      0.10053   0.11487   0.39099
O3      0.10125  -0.07516   0.38000
O4      0.11228   0.01460   0.84763
O5     -0.11681   0.11088   0.64374
O6     -0.11050  -0.07948   0.63637
O7     -0.31218   0.11132  -0.16441
O8     -0.30548  -0.07888  -0.17466
O9     -0.50632   0.01104   0.01192
O10     -0.32488   0.10692   0.36504
O11     -0.31769  -0.08293   0.35585
O12      0.29593   0.10688   0.19478
O13      0.29548  -0.08353   0.19261
O14      0.30969   0.10671  -0.33647
O15      0.30694  -0.08333  -0.33619
#
#_symmetry_space_group_name_H-M  P 2/M
#_symmetry_Int_Tables_number   10
#
#   Coordination Sequence :
#
# PCOD6103414 Al3B4O15        R =  0.0106   10
#   3
#   1  2  4
#    6   8  20  20  30  32  40  44   0   0
#    6  11  17  22  28  34  39  45   0   0
#    3  11  16  25  26  33  42  42   0   0
#
#_framework_density    9.87
#
