The material described by Cr8Fe2NiCuS16 is Spinel-derived structured and crystallizes in the trigonal R3m space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent S(3) and three equivalent S(7) atoms to form CrS6 octahedra that share corners with three equivalent Fe(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, edges with three equivalent Cr(3)S6 octahedra, and edges with three equivalent Cr(4)S6 octahedra. In the second Cr site, Cr(2) is bonded to three equivalent S(4) and three equivalent S(8) atoms to form CrS6 octahedra that share corners with three equivalent Fe(2)S4 tetrahedra, corners with three equivalent Ni(1)S4 tetrahedra, edges with three equivalent Cr(3)S6 octahedra, and edges with three equivalent Cr(4)S6 octahedra. In the third Cr site, Cr(3) is bonded to one S(1), one S(6), two equivalent S(4), and two equivalent S(7) atoms to form CrS6 octahedra that share  a cornercorner with one Fe(2)S4 tetrahedra,  a cornercorner with one Cu(1)S4 tetrahedra, corners with two equivalent Fe(1)S4 tetrahedra, corners with two equivalent Ni(1)S4 tetrahedra,  an edgeedge with one Cr(1)S6 octahedra,  an edgeedge with one Cr(2)S6 octahedra, and edges with four equivalent Cr(3)S6 octahedra. In the fourth Cr site, Cr(4) is bonded to one S(2), one S(5), two equivalent S(3), and two equivalent S(8) atoms to form CrS6 octahedra that share  a cornercorner with one Fe(1)S4 tetrahedra,  a cornercorner with one Ni(1)S4 tetrahedra, corners with two equivalent Fe(2)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra,  an edgeedge with one Cr(1)S6 octahedra,  an edgeedge with one Cr(2)S6 octahedra, and edges with four equivalent Cr(4)S6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one S(5) and three equivalent S(7) atoms to form FeS4 tetrahedra that share corners with three equivalent Cr(1)S6 octahedra, corners with three equivalent Cr(4)S6 octahedra, and corners with six equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second Fe site, Fe(2) is bonded to one S(6) and three equivalent S(8) atoms to form FeS4 tetrahedra that share corners with three equivalent Cr(2)S6 octahedra, corners with three equivalent Cr(3)S6 octahedra, and corners with six equivalent Cr(4)S6 octahedra. The corner-sharing octahedral tilt angles are 56°. Ni(1) is bonded to one S(2) and three equivalent S(4) atoms to form NiS4 tetrahedra that share corners with three equivalent Cr(2)S6 octahedra, corners with three equivalent Cr(4)S6 octahedra, and corners with six equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. Cu(1) is bonded to one S(1) and three equivalent S(3) atoms to form CuS4 tetrahedra that share corners with three equivalent Cr(1)S6 octahedra, corners with three equivalent Cr(3)S6 octahedra, and corners with six equivalent Cr(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(3) and one Cu(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(4) and one Ni(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(4), and one Cu(1) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(3), and one Ni(1) atom. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(4) and one Fe(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(3) and one Fe(2) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), and one Fe(1) atom. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(4), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Cr8Fe2CuNiS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.925
_cell_length_b   11.925
_cell_length_c   11.925
_cell_angle_alpha   33.526
_cell_angle_beta   33.526
_cell_angle_gamma   33.526
_symmetry_Int_Tables_number   1
_cell_volume   460.794
_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
  Cr  Cr0  1  0.750  0.750  0.750  1.0
  Cr  Cr1  1  0.249  0.249  0.249  1.0
  Cr  Cr2  1  0.497  0.002  0.002  1.0
  Cr  Cr3  1  0.997  0.501  0.501  1.0
  Cr  Cr4  1  0.501  0.997  0.501  1.0
  Cr  Cr5  1  0.002  0.497  0.002  1.0
  Cr  Cr6  1  0.501  0.501  0.997  1.0
  Cr  Cr7  1  0.002  0.002  0.497  1.0
  Fe  Fe8  1  0.437  0.437  0.437  1.0
  Fe  Fe9  1  0.938  0.938  0.938  1.0
  Cu  Cu10  1  0.063  0.063  0.063  1.0
  Ni  Ni11  1  0.562  0.562  0.562  1.0
  S  S12  1  0.129  0.129  0.129  1.0
  S  S13  1  0.627  0.627  0.627  1.0
  S  S14  1  0.395  0.863  0.863  1.0
  S  S15  1  0.887  0.368  0.368  1.0
  S  S16  1  0.863  0.395  0.863  1.0
  S  S17  1  0.368  0.887  0.368  1.0
  S  S18  1  0.863  0.863  0.395  1.0
  S  S19  1  0.368  0.368  0.887  1.0
  S  S20  1  0.373  0.373  0.373  1.0
  S  S21  1  0.873  0.873  0.873  1.0
  S  S22  1  0.117  0.630  0.630  1.0
  S  S23  1  0.617  0.130  0.130  1.0
  S  S24  1  0.630  0.117  0.630  1.0
  S  S25  1  0.130  0.617  0.130  1.0
  S  S26  1  0.630  0.630  0.117  1.0
  S  S27  1  0.130  0.130  0.617  1.0
[/CIF]
.
The material described by Cr8Fe2NiCuS16 is Spinel-derived structured and crystallizes in the trigonal R3m space group. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent S(3) and three equivalent S(7) atoms to form CrS6 octahedra that share corners with three equivalent Fe(1)S4 tetrahedra, corners with three equivalent Cu(1)S4 tetrahedra, edges with three equivalent Cr(3)S6 octahedra, and edges with three equivalent Cr(4)S6 octahedra. In the second Cr site, Cr(2) is bonded to three equivalent S(4) and three equivalent S(8) atoms to form CrS6 octahedra that share corners with three equivalent Fe(2)S4 tetrahedra, corners with three equivalent Ni(1)S4 tetrahedra, edges with three equivalent Cr(3)S6 octahedra, and edges with three equivalent Cr(4)S6 octahedra. In the third Cr site, Cr(3) is bonded to one S(1), one S(6), two equivalent S(4), and two equivalent S(7) atoms to form CrS6 octahedra that share  a cornercorner with one Fe(2)S4 tetrahedra,  a cornercorner with one Cu(1)S4 tetrahedra, corners with two equivalent Fe(1)S4 tetrahedra, corners with two equivalent Ni(1)S4 tetrahedra,  an edgeedge with one Cr(1)S6 octahedra,  an edgeedge with one Cr(2)S6 octahedra, and edges with four equivalent Cr(3)S6 octahedra. In the fourth Cr site, Cr(4) is bonded to one S(2), one S(5), two equivalent S(3), and two equivalent S(8) atoms to form CrS6 octahedra that share  a cornercorner with one Fe(1)S4 tetrahedra,  a cornercorner with one Ni(1)S4 tetrahedra, corners with two equivalent Fe(2)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra,  an edgeedge with one Cr(1)S6 octahedra,  an edgeedge with one Cr(2)S6 octahedra, and edges with four equivalent Cr(4)S6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one S(5) and three equivalent S(7) atoms to form FeS4 tetrahedra that share corners with three equivalent Cr(1)S6 octahedra, corners with three equivalent Cr(4)S6 octahedra, and corners with six equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second Fe site, Fe(2) is bonded to one S(6) and three equivalent S(8) atoms to form FeS4 tetrahedra that share corners with three equivalent Cr(2)S6 octahedra, corners with three equivalent Cr(3)S6 octahedra, and corners with six equivalent Cr(4)S6 octahedra. The corner-sharing octahedral tilt angles are 56°. Ni(1) is bonded to one S(2) and three equivalent S(4) atoms to form NiS4 tetrahedra that share corners with three equivalent Cr(2)S6 octahedra, corners with three equivalent Cr(4)S6 octahedra, and corners with six equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. Cu(1) is bonded to one S(1) and three equivalent S(3) atoms to form CuS4 tetrahedra that share corners with three equivalent Cr(1)S6 octahedra, corners with three equivalent Cr(3)S6 octahedra, and corners with six equivalent Cr(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(3) and one Cu(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(4) and one Ni(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(4), and one Cu(1) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(3), and one Ni(1) atom. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(4) and one Fe(1) atom. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(3) and one Fe(2) atom. In the seventh S site, S(7) is bonded in a distorted rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), and one Fe(1) atom. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(4), and one Fe(2) atom. is represented by the CIF file [CIF]
data_Cr8Fe2CuNiS16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.925
_cell_length_b   11.925
_cell_length_c   11.925
_cell_angle_alpha   33.526
_cell_angle_beta   33.526
_cell_angle_gamma   33.526
_symmetry_Int_Tables_number   1
_cell_volume   460.794
_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
  Cr  Cr0  1  0.750  0.750  0.750  1.0
  Cr  Cr1  1  0.249  0.249  0.249  1.0
  Cr  Cr2  1  0.497  0.002  0.002  1.0
  Cr  Cr3  1  0.997  0.501  0.501  1.0
  Cr  Cr4  1  0.501  0.997  0.501  1.0
  Cr  Cr5  1  0.002  0.497  0.002  1.0
  Cr  Cr6  1  0.501  0.501  0.997  1.0
  Cr  Cr7  1  0.002  0.002  0.497  1.0
  Fe  Fe8  1  0.437  0.437  0.437  1.0
  Fe  Fe9  1  0.938  0.938  0.938  1.0
  Cu  Cu10  1  0.063  0.063  0.063  1.0
  Ni  Ni11  1  0.562  0.562  0.562  1.0
  S  S12  1  0.129  0.129  0.129  1.0
  S  S13  1  0.627  0.627  0.627  1.0
  S  S14  1  0.395  0.863  0.863  1.0
  S  S15  1  0.887  0.368  0.368  1.0
  S  S16  1  0.863  0.395  0.863  1.0
  S  S17  1  0.368  0.887  0.368  1.0
  S  S18  1  0.863  0.863  0.395  1.0
  S  S19  1  0.368  0.368  0.887  1.0
  S  S20  1  0.373  0.373  0.373  1.0
  S  S21  1  0.873  0.873  0.873  1.0
  S  S22  1  0.117  0.630  0.630  1.0
  S  S23  1  0.617  0.130  0.130  1.0
  S  S24  1  0.630  0.117  0.630  1.0
  S  S25  1  0.130  0.617  0.130  1.0
  S  S26  1  0.630  0.630  0.117  1.0
  S  S27  1  0.130  0.130  0.617  1.0
[/CIF]
.