The crystal structure described by Al13(CuS8)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 S(1), one S(9), and two equivalent S(4) atoms to form CuS4 tetrahedra that share  a cornercorner with one Al(7)S6 octahedra, corners with two equivalent Al(3)S6 octahedra, corners with two equivalent Al(6)S6 octahedra, and corners with four equivalent Al(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the second Cu site, Cu(2) is bonded to one S(2), one S(7), and two equivalent S(5) atoms to form CuS4 tetrahedra that share  a cornercorner with one Al(6)S6 octahedra, corners with two equivalent Al(1)S6 octahedra, corners with three equivalent Al(4)S6 octahedra, and corners with four equivalent Al(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. In the third Cu site, Cu(3) is bonded to one S(3), one S(8), and two equivalent S(6) atoms to form CuS4 tetrahedra that share corners with two equivalent Al(2)S6 octahedra, corners with two equivalent Al(7)S6 octahedra, corners with three equivalent Al(5)S6 octahedra, and corners with four equivalent Al(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. There are ten inequivalent Al sites. In the first Al site, Al(1) is bonded to one S(1), one S(10), one S(13), one S(16), one S(4), and one S(7) atom to form AlS6 octahedra that share  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one Al(10)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Al(8)S4 tetrahedra,  an edgeedge with one Al(4)S6 octahedra, edges with two equivalent Al(1)S6 octahedra, and edges with two equivalent Al(6)S6 octahedra. In the second Al site, Al(2) is bonded to one S(11), one S(14), one S(17), one S(2), one S(5), and one S(8) atom to form AlS6 octahedra that share  a cornercorner with one Cu(3)S4 tetrahedra,  a cornercorner with one Al(8)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with two equivalent Al(9)S4 tetrahedra,  an edgeedge with one Al(4)S6 octahedra,  an edgeedge with one Al(5)S6 octahedra, and edges with two equivalent Al(2)S6 octahedra. In the third Al site, Al(3) is bonded to one S(12), one S(15), one S(18), one S(3), one S(6), and one S(9) atom to form AlS6 octahedra that share  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Al(9)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, corners with two equivalent Al(10)S4 tetrahedra,  an edgeedge with one Al(5)S6 octahedra, edges with two equivalent Al(3)S6 octahedra, and edges with two equivalent Al(7)S6 octahedra. In the fourth Al site, Al(4) is bonded to one S(16), one S(2), two equivalent S(10), and two equivalent S(5) atoms to form AlS6 octahedra that share corners with three equivalent Cu(2)S4 tetrahedra, corners with three equivalent Al(8)S4 tetrahedra,  an edgeedge with one Al(6)S6 octahedra, edges with two equivalent Al(1)S6 octahedra, and edges with two equivalent Al(2)S6 octahedra. In the fifth Al site, Al(5) is bonded to one S(17), one S(3), two equivalent S(11), and two equivalent S(6) atoms to form AlS6 octahedra that share corners with three equivalent Cu(3)S4 tetrahedra, corners with three equivalent Al(9)S4 tetrahedra,  an edgeedge with one Al(7)S6 octahedra, edges with two equivalent Al(2)S6 octahedra, and edges with two equivalent Al(3)S6 octahedra. In the sixth Al site, Al(6) is bonded to one S(13), one S(7), two equivalent S(10), and two equivalent S(4) atoms to form AlS6 octahedra that share  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one Al(10)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Al(8)S4 tetrahedra,  an edgeedge with one Al(4)S6 octahedra, and edges with four equivalent Al(1)S6 octahedra. In the seventh Al site, Al(7) is bonded to one S(15), one S(9), two equivalent S(12), and two equivalent S(6) atoms to form AlS6 octahedra that share  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Al(9)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, corners with two equivalent Al(10)S4 tetrahedra,  an edgeedge with one Al(5)S6 octahedra, and edges with four equivalent Al(3)S6 octahedra. In the eighth Al site, Al(8) is bonded to one S(14), one S(16), and two equivalent S(10) atoms to form corner-sharing AlS4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the ninth Al site, Al(9) is bonded to one S(15), one S(17), and two equivalent S(11) atoms to form corner-sharing AlS4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-60°. In the tenth Al site, Al(10) is bonded to one S(13), one S(18), and two equivalent S(12) atoms to form corner-sharing AlS4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There are eighteen inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent Al(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Cu(2), one Al(4), and two equivalent Al(2) atoms. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Cu(3), one Al(5), and two equivalent Al(3) atoms. In the fourth S site, S(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one Al(1), and one Al(6) atom. In the fifth S site, S(5) is bonded in a distorted trigonal planar geometry to one Cu(2), one Al(2), and one Al(4) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Cu(3), one Al(3), one Al(5), and one Al(7) atom. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to one Cu(2), one Al(6), and two equivalent Al(1) atoms. In the eighth S site, S(8) is bonded in a distorted trigonal planar geometry to one Cu(3) and two equivalent Al(2) atoms. In the ninth S site, S(9) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Al(7), and two equivalent Al(3) atoms. In the tenth S site, S(10) is bonded to one Al(1), one Al(4), one Al(6), and one Al(8) atom to form a mixture of distorted corner and edge-sharing SAl4 trigonal pyramids. In the eleventh S site, S(11) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(5), and one Al(9) atom. In the twelfth S site, S(12) is bonded in a distorted trigonal planar geometry to one Al(10), one Al(3), and one Al(7) atom. In the thirteenth S site, S(13) is bonded to one Al(10), one Al(6), and two equivalent Al(1) atoms to form distorted edge-sharing SAl4 trigonal pyramids. In the fourteenth S site, S(14) is bonded in a distorted trigonal planar geometry to one Al(8) and two equivalent Al(2) atoms. In the fifteenth S site, S(15) is bonded in a rectangular see-saw-like geometry to one Al(7), one Al(9), and two equivalent Al(3) atoms. In the sixteenth S site, S(16) is bonded to one Al(4), one Al(8), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing SAl4 trigonal pyramids. In the seventeenth S site, S(17) is bonded in a distorted trigonal pyramidal geometry to one Al(5), one Al(9), and two equivalent Al(2) atoms. In the eighteenth S site, S(18) is bonded in a distorted trigonal planar geometry to one Al(10) and two equivalent Al(3) atoms. is represented by the CIF file [CIF]
data_Al13(CuS8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.017
_cell_length_b   7.017
_cell_length_c   17.261
_cell_angle_alpha   89.788
_cell_angle_beta   89.788
_cell_angle_gamma   60.383
_symmetry_Int_Tables_number   1
_cell_volume   738.823
_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  0.339  0.822  0.163  1.0
  Al  Al1  1  0.005  0.493  0.499  1.0
  Al  Al2  1  0.668  0.163  0.836  1.0
  Al  Al3  1  0.164  0.164  0.339  1.0
  Al  Al4  1  0.837  0.837  0.668  1.0
  Al  Al5  1  0.822  0.339  0.163  1.0
  Al  Al6  1  0.493  0.005  0.499  1.0
  Al  Al7  1  0.163  0.668  0.836  1.0
  Al  Al8  1  0.339  0.339  0.163  1.0
  Al  Al9  1  0.669  0.669  0.836  1.0
  Al  Al10  1  0.830  0.830  0.294  1.0
  Al  Al11  1  0.493  0.493  0.625  1.0
  Al  Al12  1  0.166  0.166  0.951  1.0
  Cu  Cu13  1  0.834  0.834  0.045  1.0
  Cu  Cu14  1  0.504  0.504  0.377  1.0
  Cu  Cu15  1  0.166  0.166  0.706  1.0
  S  S16  1  0.657  0.657  0.085  1.0
  S  S17  1  0.324  0.324  0.418  1.0
  S  S18  1  0.991  0.991  0.754  1.0
  S  S19  1  0.185  0.658  0.085  1.0
  S  S20  1  0.851  0.327  0.419  1.0
  S  S21  1  0.522  0.988  0.752  1.0
  S  S22  1  0.500  0.500  0.243  1.0
  S  S23  1  0.170  0.170  0.577  1.0
  S  S24  1  0.833  0.833  0.911  1.0
  S  S25  1  0.658  0.185  0.085  1.0
  S  S26  1  0.327  0.851  0.419  1.0
  S  S27  1  0.988  0.522  0.752  1.0
  S  S28  1  0.012  0.476  0.247  1.0
  S  S29  1  0.675  0.146  0.581  1.0
  S  S30  1  0.343  0.814  0.914  1.0
  S  S31  1  0.167  0.167  0.090  1.0
  S  S32  1  0.832  0.832  0.424  1.0
  S  S33  1  0.501  0.501  0.758  1.0
  S  S34  1  0.476  0.012  0.247  1.0
  S  S35  1  0.146  0.675  0.581  1.0
  S  S36  1  0.814  0.343  0.914  1.0
  S  S37  1  0.010  0.010  0.247  1.0
  S  S38  1  0.676  0.676  0.581  1.0
  S  S39  1  0.343  0.343  0.913  1.0
[/CIF]
.
The crystal structure described by Al13(CuS8)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 S(1), one S(9), and two equivalent S(4) atoms to form CuS4 tetrahedra that share  a cornercorner with one Al(7)S6 octahedra, corners with two equivalent Al(3)S6 octahedra, corners with two equivalent Al(6)S6 octahedra, and corners with four equivalent Al(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. In the second Cu site, Cu(2) is bonded to one S(2), one S(7), and two equivalent S(5) atoms to form CuS4 tetrahedra that share  a cornercorner with one Al(6)S6 octahedra, corners with two equivalent Al(1)S6 octahedra, corners with three equivalent Al(4)S6 octahedra, and corners with four equivalent Al(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. In the third Cu site, Cu(3) is bonded to one S(3), one S(8), and two equivalent S(6) atoms to form CuS4 tetrahedra that share corners with two equivalent Al(2)S6 octahedra, corners with two equivalent Al(7)S6 octahedra, corners with three equivalent Al(5)S6 octahedra, and corners with four equivalent Al(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. There are ten inequivalent Al sites. In the first Al site, Al(1) is bonded to one S(1), one S(10), one S(13), one S(16), one S(4), and one S(7) atom to form AlS6 octahedra that share  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one Al(10)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Al(8)S4 tetrahedra,  an edgeedge with one Al(4)S6 octahedra, edges with two equivalent Al(1)S6 octahedra, and edges with two equivalent Al(6)S6 octahedra. In the second Al site, Al(2) is bonded to one S(11), one S(14), one S(17), one S(2), one S(5), and one S(8) atom to form AlS6 octahedra that share  a cornercorner with one Cu(3)S4 tetrahedra,  a cornercorner with one Al(8)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with two equivalent Al(9)S4 tetrahedra,  an edgeedge with one Al(4)S6 octahedra,  an edgeedge with one Al(5)S6 octahedra, and edges with two equivalent Al(2)S6 octahedra. In the third Al site, Al(3) is bonded to one S(12), one S(15), one S(18), one S(3), one S(6), and one S(9) atom to form AlS6 octahedra that share  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Al(9)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, corners with two equivalent Al(10)S4 tetrahedra,  an edgeedge with one Al(5)S6 octahedra, edges with two equivalent Al(3)S6 octahedra, and edges with two equivalent Al(7)S6 octahedra. In the fourth Al site, Al(4) is bonded to one S(16), one S(2), two equivalent S(10), and two equivalent S(5) atoms to form AlS6 octahedra that share corners with three equivalent Cu(2)S4 tetrahedra, corners with three equivalent Al(8)S4 tetrahedra,  an edgeedge with one Al(6)S6 octahedra, edges with two equivalent Al(1)S6 octahedra, and edges with two equivalent Al(2)S6 octahedra. In the fifth Al site, Al(5) is bonded to one S(17), one S(3), two equivalent S(11), and two equivalent S(6) atoms to form AlS6 octahedra that share corners with three equivalent Cu(3)S4 tetrahedra, corners with three equivalent Al(9)S4 tetrahedra,  an edgeedge with one Al(7)S6 octahedra, edges with two equivalent Al(2)S6 octahedra, and edges with two equivalent Al(3)S6 octahedra. In the sixth Al site, Al(6) is bonded to one S(13), one S(7), two equivalent S(10), and two equivalent S(4) atoms to form AlS6 octahedra that share  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one Al(10)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Al(8)S4 tetrahedra,  an edgeedge with one Al(4)S6 octahedra, and edges with four equivalent Al(1)S6 octahedra. In the seventh Al site, Al(7) is bonded to one S(15), one S(9), two equivalent S(12), and two equivalent S(6) atoms to form AlS6 octahedra that share  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Al(9)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, corners with two equivalent Al(10)S4 tetrahedra,  an edgeedge with one Al(5)S6 octahedra, and edges with four equivalent Al(3)S6 octahedra. In the eighth Al site, Al(8) is bonded to one S(14), one S(16), and two equivalent S(10) atoms to form corner-sharing AlS4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-60°. In the ninth Al site, Al(9) is bonded to one S(15), one S(17), and two equivalent S(11) atoms to form corner-sharing AlS4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-60°. In the tenth Al site, Al(10) is bonded to one S(13), one S(18), and two equivalent S(12) atoms to form corner-sharing AlS4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There are eighteen inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent Al(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Cu(2), one Al(4), and two equivalent Al(2) atoms. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Cu(3), one Al(5), and two equivalent Al(3) atoms. In the fourth S site, S(4) is bonded in a distorted trigonal planar geometry to one Cu(1), one Al(1), and one Al(6) atom. In the fifth S site, S(5) is bonded in a distorted trigonal planar geometry to one Cu(2), one Al(2), and one Al(4) atom. In the sixth S site, S(6) is bonded in a rectangular see-saw-like geometry to one Cu(3), one Al(3), one Al(5), and one Al(7) atom. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to one Cu(2), one Al(6), and two equivalent Al(1) atoms. In the eighth S site, S(8) is bonded in a distorted trigonal planar geometry to one Cu(3) and two equivalent Al(2) atoms. In the ninth S site, S(9) is bonded in a distorted rectangular see-saw-like geometry to one Cu(1), one Al(7), and two equivalent Al(3) atoms. In the tenth S site, S(10) is bonded to one Al(1), one Al(4), one Al(6), and one Al(8) atom to form a mixture of distorted corner and edge-sharing SAl4 trigonal pyramids. In the eleventh S site, S(11) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(5), and one Al(9) atom. In the twelfth S site, S(12) is bonded in a distorted trigonal planar geometry to one Al(10), one Al(3), and one Al(7) atom. In the thirteenth S site, S(13) is bonded to one Al(10), one Al(6), and two equivalent Al(1) atoms to form distorted edge-sharing SAl4 trigonal pyramids. In the fourteenth S site, S(14) is bonded in a distorted trigonal planar geometry to one Al(8) and two equivalent Al(2) atoms. In the fifteenth S site, S(15) is bonded in a rectangular see-saw-like geometry to one Al(7), one Al(9), and two equivalent Al(3) atoms. In the sixteenth S site, S(16) is bonded to one Al(4), one Al(8), and two equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing SAl4 trigonal pyramids. In the seventeenth S site, S(17) is bonded in a distorted trigonal pyramidal geometry to one Al(5), one Al(9), and two equivalent Al(2) atoms. In the eighteenth S site, S(18) is bonded in a distorted trigonal planar geometry to one Al(10) and two equivalent Al(3) atoms. is represented by the CIF file [CIF]
data_Al13(CuS8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.017
_cell_length_b   7.017
_cell_length_c   17.261
_cell_angle_alpha   89.788
_cell_angle_beta   89.788
_cell_angle_gamma   60.383
_symmetry_Int_Tables_number   1
_cell_volume   738.823
_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  0.339  0.822  0.163  1.0
  Al  Al1  1  0.005  0.493  0.499  1.0
  Al  Al2  1  0.668  0.163  0.836  1.0
  Al  Al3  1  0.164  0.164  0.339  1.0
  Al  Al4  1  0.837  0.837  0.668  1.0
  Al  Al5  1  0.822  0.339  0.163  1.0
  Al  Al6  1  0.493  0.005  0.499  1.0
  Al  Al7  1  0.163  0.668  0.836  1.0
  Al  Al8  1  0.339  0.339  0.163  1.0
  Al  Al9  1  0.669  0.669  0.836  1.0
  Al  Al10  1  0.830  0.830  0.294  1.0
  Al  Al11  1  0.493  0.493  0.625  1.0
  Al  Al12  1  0.166  0.166  0.951  1.0
  Cu  Cu13  1  0.834  0.834  0.045  1.0
  Cu  Cu14  1  0.504  0.504  0.377  1.0
  Cu  Cu15  1  0.166  0.166  0.706  1.0
  S  S16  1  0.657  0.657  0.085  1.0
  S  S17  1  0.324  0.324  0.418  1.0
  S  S18  1  0.991  0.991  0.754  1.0
  S  S19  1  0.185  0.658  0.085  1.0
  S  S20  1  0.851  0.327  0.419  1.0
  S  S21  1  0.522  0.988  0.752  1.0
  S  S22  1  0.500  0.500  0.243  1.0
  S  S23  1  0.170  0.170  0.577  1.0
  S  S24  1  0.833  0.833  0.911  1.0
  S  S25  1  0.658  0.185  0.085  1.0
  S  S26  1  0.327  0.851  0.419  1.0
  S  S27  1  0.988  0.522  0.752  1.0
  S  S28  1  0.012  0.476  0.247  1.0
  S  S29  1  0.675  0.146  0.581  1.0
  S  S30  1  0.343  0.814  0.914  1.0
  S  S31  1  0.167  0.167  0.090  1.0
  S  S32  1  0.832  0.832  0.424  1.0
  S  S33  1  0.501  0.501  0.758  1.0
  S  S34  1  0.476  0.012  0.247  1.0
  S  S35  1  0.146  0.675  0.581  1.0
  S  S36  1  0.814  0.343  0.914  1.0
  S  S37  1  0.010  0.010  0.247  1.0
  S  S38  1  0.676  0.676  0.581  1.0
  S  S39  1  0.343  0.343  0.913  1.0
[/CIF]
.