The material described by Cu11Al2B13 crystallizes in the cubic P-43m space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Cu(2), one B(1), two equivalent B(2), and four equivalent B(4) atoms. In the second Cu site, Cu(2) is bonded in a 13-coordinate geometry to three equivalent Cu(1), three equivalent Cu(3), three equivalent Al(1), one B(3), and three equivalent B(4) atoms. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one Cu(3), two equivalent Cu(2), and two equivalent Al(1) atoms. Al(1) is bonded to three equivalent Cu(2), three equivalent Cu(3), and one B(1) atom to form distorted AlCu6B trigonal pyramids that share corners with three equivalent B(3)CuB6 hexagonal pyramids and faces with three equivalent Al(1)Cu6B trigonal pyramids. There are four inequivalent B sites. In the first B site, B(3) is bonded to one Cu(2), three equivalent B(2), and three equivalent B(4) atoms to form distorted BCuB6 hexagonal pyramids that share corners with three equivalent B(3)CuB6 hexagonal pyramids and corners with three equivalent Al(1)Cu6B trigonal pyramids. In the second B site, B(4) is bonded in a 9-coordinate geometry to one Cu(2), four equivalent Cu(1), one B(1), one B(3), and two equivalent B(2) atoms. In the third B site, B(1) is bonded in a 7-coordinate geometry to three equivalent Cu(1), one Al(1), and three equivalent B(4) atoms. In the fourth B site, B(2) is bonded in a 10-coordinate geometry to four equivalent Cu(1), two equivalent B(3), and four equivalent B(4) atoms. is represented by the CIF file [CIF]
data_Al2Cu11B13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.926
_cell_length_b   7.926
_cell_length_c   7.926
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   497.904
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al0  1  0.619  0.619  0.619  1.0
  Al  Al1  1  0.381  0.381  0.619  1.0
  Al  Al2  1  0.381  0.619  0.381  1.0
  Al  Al3  1  0.619  0.381  0.381  1.0
  Cu  Cu4  1  0.148  0.148  0.536  1.0
  Cu  Cu5  1  0.852  0.852  0.536  1.0
  Cu  Cu6  1  0.852  0.148  0.464  1.0
  Cu  Cu7  1  0.536  0.148  0.148  1.0
  Cu  Cu8  1  0.148  0.852  0.464  1.0
  Cu  Cu9  1  0.536  0.852  0.852  1.0
  Cu  Cu10  1  0.464  0.852  0.148  1.0
  Cu  Cu11  1  0.464  0.148  0.852  1.0
  Cu  Cu12  1  0.148  0.536  0.148  1.0
  Cu  Cu13  1  0.148  0.464  0.852  1.0
  Cu  Cu14  1  0.852  0.464  0.148  1.0
  Cu  Cu15  1  0.852  0.536  0.852  1.0
  Cu  Cu16  1  0.294  0.294  0.294  1.0
  Cu  Cu17  1  0.706  0.706  0.294  1.0
  Cu  Cu18  1  0.706  0.294  0.706  1.0
  Cu  Cu19  1  0.294  0.706  0.706  1.0
  Cu  Cu20  1  0.141  0.500  0.500  1.0
  Cu  Cu21  1  0.859  0.500  0.500  1.0
  Cu  Cu22  1  0.500  0.141  0.500  1.0
  Cu  Cu23  1  0.500  0.859  0.500  1.0
  Cu  Cu24  1  0.500  0.500  0.141  1.0
  Cu  Cu25  1  0.500  0.500  0.859  1.0
  B  B26  1  0.773  0.773  0.773  1.0
  B  B27  1  0.227  0.227  0.773  1.0
  B  B28  1  0.227  0.773  0.227  1.0
  B  B29  1  0.773  0.227  0.227  1.0
  B  B30  1  0.275  0.000  0.000  1.0
  B  B31  1  0.725  0.000  0.000  1.0
  B  B32  1  0.000  0.275  0.000  1.0
  B  B33  1  0.000  0.725  0.000  1.0
  B  B34  1  0.000  0.000  0.275  1.0
  B  B35  1  0.000  0.000  0.725  1.0
  B  B36  1  0.135  0.135  0.135  1.0
  B  B37  1  0.865  0.865  0.135  1.0
  B  B38  1  0.865  0.135  0.865  1.0
  B  B39  1  0.135  0.865  0.865  1.0
  B  B40  1  0.258  0.258  0.999  1.0
  B  B41  1  0.742  0.742  0.999  1.0
  B  B42  1  0.742  0.258  0.001  1.0
  B  B43  1  0.999  0.258  0.258  1.0
  B  B44  1  0.258  0.742  0.001  1.0
  B  B45  1  0.999  0.742  0.742  1.0
  B  B46  1  0.001  0.742  0.258  1.0
  B  B47  1  0.001  0.258  0.742  1.0
  B  B48  1  0.258  0.999  0.258  1.0
  B  B49  1  0.258  0.001  0.742  1.0
  B  B50  1  0.742  0.001  0.258  1.0
  B  B51  1  0.742  0.999  0.742  1.0
[/CIF]
.
The material described by Cu11Al2B13 crystallizes in the cubic P-43m space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one Cu(2), one B(1), two equivalent B(2), and four equivalent B(4) atoms. In the second Cu site, Cu(2) is bonded in a 13-coordinate geometry to three equivalent Cu(1), three equivalent Cu(3), three equivalent Al(1), one B(3), and three equivalent B(4) atoms. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one Cu(3), two equivalent Cu(2), and two equivalent Al(1) atoms. Al(1) is bonded to three equivalent Cu(2), three equivalent Cu(3), and one B(1) atom to form distorted AlCu6B trigonal pyramids that share corners with three equivalent B(3)CuB6 hexagonal pyramids and faces with three equivalent Al(1)Cu6B trigonal pyramids. There are four inequivalent B sites. In the first B site, B(3) is bonded to one Cu(2), three equivalent B(2), and three equivalent B(4) atoms to form distorted BCuB6 hexagonal pyramids that share corners with three equivalent B(3)CuB6 hexagonal pyramids and corners with three equivalent Al(1)Cu6B trigonal pyramids. In the second B site, B(4) is bonded in a 9-coordinate geometry to one Cu(2), four equivalent Cu(1), one B(1), one B(3), and two equivalent B(2) atoms. In the third B site, B(1) is bonded in a 7-coordinate geometry to three equivalent Cu(1), one Al(1), and three equivalent B(4) atoms. In the fourth B site, B(2) is bonded in a 10-coordinate geometry to four equivalent Cu(1), two equivalent B(3), and four equivalent B(4) atoms. is represented by the CIF file [CIF]
data_Al2Cu11B13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.926
_cell_length_b   7.926
_cell_length_c   7.926
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   497.904
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al0  1  0.619  0.619  0.619  1.0
  Al  Al1  1  0.381  0.381  0.619  1.0
  Al  Al2  1  0.381  0.619  0.381  1.0
  Al  Al3  1  0.619  0.381  0.381  1.0
  Cu  Cu4  1  0.148  0.148  0.536  1.0
  Cu  Cu5  1  0.852  0.852  0.536  1.0
  Cu  Cu6  1  0.852  0.148  0.464  1.0
  Cu  Cu7  1  0.536  0.148  0.148  1.0
  Cu  Cu8  1  0.148  0.852  0.464  1.0
  Cu  Cu9  1  0.536  0.852  0.852  1.0
  Cu  Cu10  1  0.464  0.852  0.148  1.0
  Cu  Cu11  1  0.464  0.148  0.852  1.0
  Cu  Cu12  1  0.148  0.536  0.148  1.0
  Cu  Cu13  1  0.148  0.464  0.852  1.0
  Cu  Cu14  1  0.852  0.464  0.148  1.0
  Cu  Cu15  1  0.852  0.536  0.852  1.0
  Cu  Cu16  1  0.294  0.294  0.294  1.0
  Cu  Cu17  1  0.706  0.706  0.294  1.0
  Cu  Cu18  1  0.706  0.294  0.706  1.0
  Cu  Cu19  1  0.294  0.706  0.706  1.0
  Cu  Cu20  1  0.141  0.500  0.500  1.0
  Cu  Cu21  1  0.859  0.500  0.500  1.0
  Cu  Cu22  1  0.500  0.141  0.500  1.0
  Cu  Cu23  1  0.500  0.859  0.500  1.0
  Cu  Cu24  1  0.500  0.500  0.141  1.0
  Cu  Cu25  1  0.500  0.500  0.859  1.0
  B  B26  1  0.773  0.773  0.773  1.0
  B  B27  1  0.227  0.227  0.773  1.0
  B  B28  1  0.227  0.773  0.227  1.0
  B  B29  1  0.773  0.227  0.227  1.0
  B  B30  1  0.275  0.000  0.000  1.0
  B  B31  1  0.725  0.000  0.000  1.0
  B  B32  1  0.000  0.275  0.000  1.0
  B  B33  1  0.000  0.725  0.000  1.0
  B  B34  1  0.000  0.000  0.275  1.0
  B  B35  1  0.000  0.000  0.725  1.0
  B  B36  1  0.135  0.135  0.135  1.0
  B  B37  1  0.865  0.865  0.135  1.0
  B  B38  1  0.865  0.135  0.865  1.0
  B  B39  1  0.135  0.865  0.865  1.0
  B  B40  1  0.258  0.258  0.999  1.0
  B  B41  1  0.742  0.742  0.999  1.0
  B  B42  1  0.742  0.258  0.001  1.0
  B  B43  1  0.999  0.258  0.258  1.0
  B  B44  1  0.258  0.742  0.001  1.0
  B  B45  1  0.999  0.742  0.742  1.0
  B  B46  1  0.001  0.742  0.258  1.0
  B  B47  1  0.001  0.258  0.742  1.0
  B  B48  1  0.258  0.999  0.258  1.0
  B  B49  1  0.258  0.001  0.742  1.0
  B  B50  1  0.742  0.001  0.258  1.0
  B  B51  1  0.742  0.999  0.742  1.0
[/CIF]
.