Cr8FeCo2CuS16 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 Co(1)S4 tetrahedra, corners with three equivalent Co(2)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(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 Co(1)S4 tetrahedra, corners with two equivalent Co(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(3)S6 octahedra. In the fourth Cr site, Cr(4) 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 Co(2)S4 tetrahedra,  a cornercorner with one Cu(1)S4 tetrahedra, corners with two equivalent Fe(1)S4 tetrahedra, corners with two equivalent Co(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. 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(3)S6 octahedra, and corners with six equivalent Cr(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one S(2) and three equivalent S(4) atoms to form CoS4 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 range from 56-57°. In the second Co site, Co(2) is bonded to one S(6) and three equivalent S(8) atoms to form CoS4 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 56-57°. 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(4)S6 octahedra, and corners with six equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are eight inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(4) and one Cu(1) atom to form distorted corner-sharing SCr3Cu trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(3) and one Co(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), 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(4), and one Co(1) atom. In the fifth S site, S(5) is bonded to three equivalent Cr(3) and one Fe(1) atom to form distorted corner-sharing SCr3Fe trigonal pyramids. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(4) and one Co(2) atom. In the seventh S site, S(7) is bonded to one Cr(1), two equivalent Cr(4), and one Fe(1) atom to form distorted SCr3Fe trigonal pyramids that share  a cornercorner with one S(5)Cr3Fe trigonal pyramid, corners with two equivalent S(1)Cr3Cu trigonal pyramids, corners with two equivalent S(7)Cr3Fe trigonal pyramids, and edges with two equivalent S(7)Cr3Fe trigonal pyramids. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(3), and one Co(2) atom.
Cr8FeCo2CuS16 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. All Cr(1)-S(3) bond lengths are 2.38 Å. All Cr(1)-S(7) bond lengths are 2.42 Å. 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 Co(1)S4 tetrahedra, corners with three equivalent Co(2)S4 tetrahedra, edges with three equivalent Cr(3)S6 octahedra, and edges with three equivalent Cr(4)S6 octahedra. All Cr(2)-S(4) bond lengths are 2.41 Å. All Cr(2)-S(8) bond lengths are 2.41 Å. In the third Cr site, Cr(3) 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 Co(1)S4 tetrahedra, corners with two equivalent Co(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(3)S6 octahedra. The Cr(3)-S(2) bond length is 2.41 Å. The Cr(3)-S(5) bond length is 2.41 Å. Both Cr(3)-S(3) bond lengths are 2.38 Å. Both Cr(3)-S(8) bond lengths are 2.42 Å. In the fourth Cr site, Cr(4) 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 Co(2)S4 tetrahedra,  a cornercorner with one Cu(1)S4 tetrahedra, corners with two equivalent Fe(1)S4 tetrahedra, corners with two equivalent Co(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. The Cr(4)-S(1) bond length is 2.38 Å. The Cr(4)-S(6) bond length is 2.42 Å. Both Cr(4)-S(4) bond lengths are 2.41 Å. Both Cr(4)-S(7) bond lengths are 2.41 Å. 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(3)S6 octahedra, and corners with six equivalent Cr(4)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. The Fe(1)-S(5) bond length is 2.25 Å. All Fe(1)-S(7) bond lengths are 2.26 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one S(2) and three equivalent S(4) atoms to form CoS4 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 range from 56-57°. The Co(1)-S(2) bond length is 2.23 Å. All Co(1)-S(4) bond lengths are 2.24 Å. In the second Co site, Co(2) is bonded to one S(6) and three equivalent S(8) atoms to form CoS4 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 56-57°. The Co(2)-S(6) bond length is 2.24 Å. All Co(2)-S(8) bond lengths are 2.24 Å. 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(4)S6 octahedra, and corners with six equivalent Cr(3)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. The Cu(1)-S(1) bond length is 2.28 Å. All Cu(1)-S(3) bond lengths are 2.28 Å. There are eight inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(4) and one Cu(1) atom to form distorted corner-sharing SCr3Cu trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(3) and one Co(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(3), 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(4), and one Co(1) atom. In the fifth S site, S(5) is bonded to three equivalent Cr(3) and one Fe(1) atom to form distorted corner-sharing SCr3Fe trigonal pyramids. In the sixth S site, S(6) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr(4) and one Co(2) atom. In the seventh S site, S(7) is bonded to one Cr(1), two equivalent Cr(4), and one Fe(1) atom to form distorted SCr3Fe trigonal pyramids that share  a cornercorner with one S(5)Cr3Fe trigonal pyramid, corners with two equivalent S(1)Cr3Cu trigonal pyramids, corners with two equivalent S(7)Cr3Fe trigonal pyramids, and edges with two equivalent S(7)Cr3Fe trigonal pyramids. In the eighth S site, S(8) is bonded in a distorted rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(3), and one Co(2) atom.