The compound described by Al13(CuSe8)3 crystallizes in the monoclinic Cm space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(13), one Se(18), and two equivalent Se(12) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Al(9)Se6 octahedra, corners with two equivalent Al(10)Se6 octahedra, corners with two equivalent Al(4)Se6 octahedra, and corners with four equivalent Al(6)Se6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the second Cu site, Cu(2) is bonded to one Se(14), one Se(16), and two equivalent Se(10) atoms to form CuSe4 tetrahedra that share corners with two equivalent Al(5)Se6 octahedra, corners with two equivalent Al(9)Se6 octahedra, corners with three equivalent Al(7)Se6 octahedra, and corners with four equivalent Al(4)Se6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the third Cu site, Cu(3) is bonded to one Se(15), one Se(17), and two equivalent Se(11) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Al(10)Se6 octahedra, corners with two equivalent Al(6)Se6 octahedra, corners with three equivalent Al(8)Se6 octahedra, and corners with four equivalent Al(5)Se6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There are ten inequivalent Al sites. In the first Al site, Al(1) is bonded to one Se(1), one Se(9), and two equivalent Se(4) atoms to form corner-sharing AlSe4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the second Al site, Al(2) is bonded to one Se(2), one Se(7), and two equivalent Se(5) atoms to form corner-sharing AlSe4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-61°. In the third Al site, Al(3) is bonded to one Se(3), one Se(8), and two equivalent Se(6) atoms to form corner-sharing AlSe4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-61°. In the fourth Al site, Al(4) is bonded to one Se(1), one Se(10), one Se(13), one Se(16), one Se(4), and one Se(7) atom to form AlSe6 octahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Al(2)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Al(1)Se4 tetrahedra,  an edgeedge with one Al(7)Se6 octahedra, edges with two equivalent Al(4)Se6 octahedra, and edges with two equivalent Al(9)Se6 octahedra. In the fifth Al site, Al(5) is bonded to one Se(11), one Se(14), one Se(17), one Se(2), one Se(5), and one Se(8) atom to form AlSe6 octahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Al(3)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra, corners with two equivalent Al(2)Se4 tetrahedra,  an edgeedge with one Al(7)Se6 octahedra,  an edgeedge with one Al(8)Se6 octahedra, and edges with two equivalent Al(5)Se6 octahedra. In the sixth Al site, Al(6) is bonded to one Se(12), one Se(15), one Se(18), one Se(3), one Se(6), and one Se(9) atom to form AlSe6 octahedra that share  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Al(1)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Al(3)Se4 tetrahedra,  an edgeedge with one Al(8)Se6 octahedra, edges with two equivalent Al(10)Se6 octahedra, and edges with two equivalent Al(6)Se6 octahedra. In the seventh Al site, Al(7) is bonded to one Se(16), one Se(2), two equivalent Se(10), and two equivalent Se(5) atoms to form AlSe6 octahedra that share corners with three equivalent Cu(2)Se4 tetrahedra, corners with three equivalent Al(2)Se4 tetrahedra,  an edgeedge with one Al(9)Se6 octahedra, edges with two equivalent Al(4)Se6 octahedra, and edges with two equivalent Al(5)Se6 octahedra. In the eighth Al site, Al(8) is bonded to one Se(17), one Se(3), two equivalent Se(11), and two equivalent Se(6) atoms to form AlSe6 octahedra that share corners with three equivalent Cu(3)Se4 tetrahedra, corners with three equivalent Al(3)Se4 tetrahedra,  an edgeedge with one Al(10)Se6 octahedra, edges with two equivalent Al(5)Se6 octahedra, and edges with two equivalent Al(6)Se6 octahedra. In the ninth Al site, Al(9) is bonded to one Se(13), one Se(7), two equivalent Se(10), and two equivalent Se(4) atoms to form AlSe6 octahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Al(2)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Al(1)Se4 tetrahedra,  an edgeedge with one Al(7)Se6 octahedra, and edges with four equivalent Al(4)Se6 octahedra. In the tenth Al site, Al(10) is bonded to one Se(15), one Se(9), two equivalent Se(12), and two equivalent Se(6) atoms to form AlSe6 octahedra that share  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Al(1)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Al(3)Se4 tetrahedra,  an edgeedge with one Al(8)Se6 octahedra, and edges with four equivalent Al(6)Se6 octahedra. There are eighteen inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal planar geometry to one Al(1) and two equivalent Al(4) atoms. In the second Se site, Se(2) is bonded in a distorted trigonal pyramidal geometry to one Al(2), one Al(7), and two equivalent Al(5) atoms. In the third Se site, Se(3) is bonded to one Al(3), one Al(8), and two equivalent Al(6) atoms to form a mixture of distorted corner and edge-sharing SeAl4 trigonal pyramids. In the fourth Se site, Se(4) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(4), and one Al(9) atom. In the fifth Se site, Se(5) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(5), and one Al(7) atom. In the sixth Se site, Se(6) is bonded to one Al(10), one Al(3), one Al(6), and one Al(8) atom to form a mixture of distorted corner and edge-sharing SeAl4 trigonal pyramids. In the seventh Se site, Se(7) is bonded in a rectangular see-saw-like geometry to one Al(2), one Al(9), and two equivalent Al(4) atoms. In the eighth Se site, Se(8) is bonded in a distorted trigonal planar geometry to one Al(3) and two equivalent Al(5) atoms. In the ninth Se site, Se(9) is bonded to one Al(1), one Al(10), and two equivalent Al(6) atoms to form distorted edge-sharing SeAl4 trigonal pyramids. In the tenth Se site, Se(10) is bonded in a rectangular see-saw-like geometry to one Cu(2), one Al(4), one Al(7), and one Al(9) atom. In the eleventh Se site, Se(11) is bonded in a distorted trigonal planar geometry to one Cu(3), one Al(5), and one Al(8) atom. In the twelfth Se site, Se(12) is bonded in a distorted trigonal planar geometry to one Cu(1), one Al(10), and one Al(6) atom. In the thirteenth Se site, Se(13) is bonded in a rectangular see-saw-like geometry to one Cu(1), one Al(9), and two equivalent Al(4) atoms. In the fourteenth Se site, Se(14) is bonded in a distorted trigonal planar geometry to one Cu(2) and two equivalent Al(5) atoms. In the fifteenth Se site, Se(15) is bonded in a rectangular see-saw-like geometry to one Cu(3), one Al(10), and two equivalent Al(6) atoms. In the sixteenth Se site, Se(16) is bonded in a rectangular see-saw-like geometry to one Cu(2), one Al(7), and two equivalent Al(4) atoms. In the seventeenth Se site, Se(17) is bonded in a rectangular see-saw-like geometry to one Cu(3), one Al(8), and two equivalent Al(5) atoms. In the eighteenth Se site, Se(18) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent Al(6) atoms. is represented by the CIF card [CIF]
data_Al13(CuSe8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.425
_cell_length_b   7.425
_cell_length_c   18.318
_cell_angle_alpha   89.696
_cell_angle_beta   89.696
_cell_angle_gamma   60.500
_symmetry_Int_Tables_number   1
_cell_volume   878.971
_cell_formula_units_Z   1
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  0.667  0.667  0.091  1.0
  Al  Al1  1  0.341  0.341  0.416  1.0
  Al  Al2  1  0.003  0.003  0.748  1.0
  Al  Al3  1  0.164  0.672  0.207  1.0
  Al  Al4  1  0.828  0.344  0.543  1.0
  Al  Al5  1  0.494  0.013  0.879  1.0
  Al  Al6  1  0.997  0.997  0.373  1.0
  Al  Al7  1  0.669  0.669  0.702  1.0
  Al  Al8  1  0.672  0.164  0.207  1.0
  Al  Al9  1  0.344  0.828  0.543  1.0
  Al  Al10  1  0.013  0.494  0.879  1.0
  Al  Al11  1  0.164  0.164  0.207  1.0
  Al  Al12  1  0.493  0.493  0.879  1.0
  Cu  Cu13  1  0.999  0.999  0.997  1.0
  Cu  Cu14  1  0.666  0.666  0.336  1.0
  Cu  Cu15  1  0.329  0.329  0.666  1.0
  Se  Se16  1  0.488  0.488  0.127  1.0
  Se  Se17  1  0.157  0.157  0.461  1.0
  Se  Se18  1  0.822  0.822  0.794  1.0
  Se  Se19  1  0.023  0.489  0.127  1.0
  Se  Se20  1  0.688  0.154  0.462  1.0
  Se  Se21  1  0.358  0.820  0.795  1.0
  Se  Se22  1  0.333  0.333  0.283  1.0
  Se  Se23  1  0.999  0.999  0.618  1.0
  Se  Se24  1  0.667  0.667  0.951  1.0
  Se  Se25  1  0.489  0.023  0.127  1.0
  Se  Se26  1  0.154  0.688  0.462  1.0
  Se  Se27  1  0.820  0.358  0.795  1.0
  Se  Se28  1  0.844  0.314  0.290  1.0
  Se  Se29  1  0.509  0.983  0.622  1.0
  Se  Se30  1  0.176  0.647  0.958  1.0
  Se  Se31  1  0.000  0.000  0.130  1.0
  Se  Se32  1  0.666  0.666  0.464  1.0
  Se  Se33  1  0.334  0.334  0.798  1.0
  Se  Se34  1  0.314  0.844  0.290  1.0
  Se  Se35  1  0.983  0.509  0.622  1.0
  Se  Se36  1  0.647  0.176  0.958  1.0
  Se  Se37  1  0.842  0.842  0.289  1.0
  Se  Se38  1  0.508  0.508  0.624  1.0
  Se  Se39  1  0.177  0.177  0.957  1.0
[/CIF]
.
The compound described by Al13(CuSe8)3 crystallizes in the monoclinic Cm space group. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one Se(13), one Se(18), and two equivalent Se(12) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Al(9)Se6 octahedra, corners with two equivalent Al(10)Se6 octahedra, corners with two equivalent Al(4)Se6 octahedra, and corners with four equivalent Al(6)Se6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the second Cu site, Cu(2) is bonded to one Se(14), one Se(16), and two equivalent Se(10) atoms to form CuSe4 tetrahedra that share corners with two equivalent Al(5)Se6 octahedra, corners with two equivalent Al(9)Se6 octahedra, corners with three equivalent Al(7)Se6 octahedra, and corners with four equivalent Al(4)Se6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the third Cu site, Cu(3) is bonded to one Se(15), one Se(17), and two equivalent Se(11) atoms to form CuSe4 tetrahedra that share  a cornercorner with one Al(10)Se6 octahedra, corners with two equivalent Al(6)Se6 octahedra, corners with three equivalent Al(8)Se6 octahedra, and corners with four equivalent Al(5)Se6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There are ten inequivalent Al sites. In the first Al site, Al(1) is bonded to one Se(1), one Se(9), and two equivalent Se(4) atoms to form corner-sharing AlSe4 tetrahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the second Al site, Al(2) is bonded to one Se(2), one Se(7), and two equivalent Se(5) atoms to form corner-sharing AlSe4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-61°. In the third Al site, Al(3) is bonded to one Se(3), one Se(8), and two equivalent Se(6) atoms to form corner-sharing AlSe4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-61°. In the fourth Al site, Al(4) is bonded to one Se(1), one Se(10), one Se(13), one Se(16), one Se(4), and one Se(7) atom to form AlSe6 octahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Al(2)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Al(1)Se4 tetrahedra,  an edgeedge with one Al(7)Se6 octahedra, edges with two equivalent Al(4)Se6 octahedra, and edges with two equivalent Al(9)Se6 octahedra. In the fifth Al site, Al(5) is bonded to one Se(11), one Se(14), one Se(17), one Se(2), one Se(5), and one Se(8) atom to form AlSe6 octahedra that share  a cornercorner with one Cu(2)Se4 tetrahedra,  a cornercorner with one Al(3)Se4 tetrahedra, corners with two equivalent Cu(3)Se4 tetrahedra, corners with two equivalent Al(2)Se4 tetrahedra,  an edgeedge with one Al(7)Se6 octahedra,  an edgeedge with one Al(8)Se6 octahedra, and edges with two equivalent Al(5)Se6 octahedra. In the sixth Al site, Al(6) is bonded to one Se(12), one Se(15), one Se(18), one Se(3), one Se(6), and one Se(9) atom to form AlSe6 octahedra that share  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Al(1)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Al(3)Se4 tetrahedra,  an edgeedge with one Al(8)Se6 octahedra, edges with two equivalent Al(10)Se6 octahedra, and edges with two equivalent Al(6)Se6 octahedra. In the seventh Al site, Al(7) is bonded to one Se(16), one Se(2), two equivalent Se(10), and two equivalent Se(5) atoms to form AlSe6 octahedra that share corners with three equivalent Cu(2)Se4 tetrahedra, corners with three equivalent Al(2)Se4 tetrahedra,  an edgeedge with one Al(9)Se6 octahedra, edges with two equivalent Al(4)Se6 octahedra, and edges with two equivalent Al(5)Se6 octahedra. In the eighth Al site, Al(8) is bonded to one Se(17), one Se(3), two equivalent Se(11), and two equivalent Se(6) atoms to form AlSe6 octahedra that share corners with three equivalent Cu(3)Se4 tetrahedra, corners with three equivalent Al(3)Se4 tetrahedra,  an edgeedge with one Al(10)Se6 octahedra, edges with two equivalent Al(5)Se6 octahedra, and edges with two equivalent Al(6)Se6 octahedra. In the ninth Al site, Al(9) is bonded to one Se(13), one Se(7), two equivalent Se(10), and two equivalent Se(4) atoms to form AlSe6 octahedra that share  a cornercorner with one Cu(1)Se4 tetrahedra,  a cornercorner with one Al(2)Se4 tetrahedra, corners with two equivalent Cu(2)Se4 tetrahedra, corners with two equivalent Al(1)Se4 tetrahedra,  an edgeedge with one Al(7)Se6 octahedra, and edges with four equivalent Al(4)Se6 octahedra. In the tenth Al site, Al(10) is bonded to one Se(15), one Se(9), two equivalent Se(12), and two equivalent Se(6) atoms to form AlSe6 octahedra that share  a cornercorner with one Cu(3)Se4 tetrahedra,  a cornercorner with one Al(1)Se4 tetrahedra, corners with two equivalent Cu(1)Se4 tetrahedra, corners with two equivalent Al(3)Se4 tetrahedra,  an edgeedge with one Al(8)Se6 octahedra, and edges with four equivalent Al(6)Se6 octahedra. There are eighteen inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted trigonal planar geometry to one Al(1) and two equivalent Al(4) atoms. In the second Se site, Se(2) is bonded in a distorted trigonal pyramidal geometry to one Al(2), one Al(7), and two equivalent Al(5) atoms. In the third Se site, Se(3) is bonded to one Al(3), one Al(8), and two equivalent Al(6) atoms to form a mixture of distorted corner and edge-sharing SeAl4 trigonal pyramids. In the fourth Se site, Se(4) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(4), and one Al(9) atom. In the fifth Se site, Se(5) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(5), and one Al(7) atom. In the sixth Se site, Se(6) is bonded to one Al(10), one Al(3), one Al(6), and one Al(8) atom to form a mixture of distorted corner and edge-sharing SeAl4 trigonal pyramids. In the seventh Se site, Se(7) is bonded in a rectangular see-saw-like geometry to one Al(2), one Al(9), and two equivalent Al(4) atoms. In the eighth Se site, Se(8) is bonded in a distorted trigonal planar geometry to one Al(3) and two equivalent Al(5) atoms. In the ninth Se site, Se(9) is bonded to one Al(1), one Al(10), and two equivalent Al(6) atoms to form distorted edge-sharing SeAl4 trigonal pyramids. In the tenth Se site, Se(10) is bonded in a rectangular see-saw-like geometry to one Cu(2), one Al(4), one Al(7), and one Al(9) atom. In the eleventh Se site, Se(11) is bonded in a distorted trigonal planar geometry to one Cu(3), one Al(5), and one Al(8) atom. In the twelfth Se site, Se(12) is bonded in a distorted trigonal planar geometry to one Cu(1), one Al(10), and one Al(6) atom. In the thirteenth Se site, Se(13) is bonded in a rectangular see-saw-like geometry to one Cu(1), one Al(9), and two equivalent Al(4) atoms. In the fourteenth Se site, Se(14) is bonded in a distorted trigonal planar geometry to one Cu(2) and two equivalent Al(5) atoms. In the fifteenth Se site, Se(15) is bonded in a rectangular see-saw-like geometry to one Cu(3), one Al(10), and two equivalent Al(6) atoms. In the sixteenth Se site, Se(16) is bonded in a rectangular see-saw-like geometry to one Cu(2), one Al(7), and two equivalent Al(4) atoms. In the seventeenth Se site, Se(17) is bonded in a rectangular see-saw-like geometry to one Cu(3), one Al(8), and two equivalent Al(5) atoms. In the eighteenth Se site, Se(18) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent Al(6) atoms. is represented by the CIF card [CIF]
data_Al13(CuSe8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.425
_cell_length_b   7.425
_cell_length_c   18.318
_cell_angle_alpha   89.696
_cell_angle_beta   89.696
_cell_angle_gamma   60.500
_symmetry_Int_Tables_number   1
_cell_volume   878.971
_cell_formula_units_Z   1
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  0.667  0.667  0.091  1.0
  Al  Al1  1  0.341  0.341  0.416  1.0
  Al  Al2  1  0.003  0.003  0.748  1.0
  Al  Al3  1  0.164  0.672  0.207  1.0
  Al  Al4  1  0.828  0.344  0.543  1.0
  Al  Al5  1  0.494  0.013  0.879  1.0
  Al  Al6  1  0.997  0.997  0.373  1.0
  Al  Al7  1  0.669  0.669  0.702  1.0
  Al  Al8  1  0.672  0.164  0.207  1.0
  Al  Al9  1  0.344  0.828  0.543  1.0
  Al  Al10  1  0.013  0.494  0.879  1.0
  Al  Al11  1  0.164  0.164  0.207  1.0
  Al  Al12  1  0.493  0.493  0.879  1.0
  Cu  Cu13  1  0.999  0.999  0.997  1.0
  Cu  Cu14  1  0.666  0.666  0.336  1.0
  Cu  Cu15  1  0.329  0.329  0.666  1.0
  Se  Se16  1  0.488  0.488  0.127  1.0
  Se  Se17  1  0.157  0.157  0.461  1.0
  Se  Se18  1  0.822  0.822  0.794  1.0
  Se  Se19  1  0.023  0.489  0.127  1.0
  Se  Se20  1  0.688  0.154  0.462  1.0
  Se  Se21  1  0.358  0.820  0.795  1.0
  Se  Se22  1  0.333  0.333  0.283  1.0
  Se  Se23  1  0.999  0.999  0.618  1.0
  Se  Se24  1  0.667  0.667  0.951  1.0
  Se  Se25  1  0.489  0.023  0.127  1.0
  Se  Se26  1  0.154  0.688  0.462  1.0
  Se  Se27  1  0.820  0.358  0.795  1.0
  Se  Se28  1  0.844  0.314  0.290  1.0
  Se  Se29  1  0.509  0.983  0.622  1.0
  Se  Se30  1  0.176  0.647  0.958  1.0
  Se  Se31  1  0.000  0.000  0.130  1.0
  Se  Se32  1  0.666  0.666  0.464  1.0
  Se  Se33  1  0.334  0.334  0.798  1.0
  Se  Se34  1  0.314  0.844  0.290  1.0
  Se  Se35  1  0.983  0.509  0.622  1.0
  Se  Se36  1  0.647  0.176  0.958  1.0
  Se  Se37  1  0.842  0.842  0.289  1.0
  Se  Se38  1  0.508  0.508  0.624  1.0
  Se  Se39  1  0.177  0.177  0.957  1.0
[/CIF]
.