Cr8MnCu3S16 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 Mn(1)S4 tetrahedra, corners with three equivalent Cu(2)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 Cu(1)S4 tetrahedra, corners with three equivalent Cu(3)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 Cu(1)S4 tetrahedra,  a cornercorner with one Cu(2)S4 tetrahedra, corners with two equivalent Mn(1)S4 tetrahedra, corners with two equivalent Cu(3)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 Mn(1)S4 tetrahedra,  a cornercorner with one Cu(3)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Cu(2)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. Mn(1) is bonded to one S(1) and three equivalent S(3) atoms to form MnS4 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 range from 58-59°. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2) and three equivalent S(4) atoms to form CuS4 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 57-59°. In the second Cu site, Cu(2) is bonded to one S(5) and three equivalent S(7) 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 56-57°. In the third Cu site, Cu(3) is bonded to one S(6) and three equivalent S(8) atoms to form CuS4 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 57-58°. There are eight inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(4) and one Mn(1) atom to form distorted SMnCr3 trigonal pyramids that share corners with three equivalent S(6)Cr3Cu trigonal pyramids, corners with three equivalent S(3)MnCr3 trigonal pyramids, and edges with three equivalent S(4)Cr3Cu trigonal pyramids. In the second S site, S(2) is bonded to three equivalent Cr(3) and one Cu(1) atom to form distorted SCr3Cu trigonal pyramids that share corners with three equivalent S(4)Cr3Cu trigonal pyramids and edges with three equivalent S(3)MnCr3 trigonal pyramids. In the third S site, S(3) is bonded to one Cr(1), two equivalent Cr(3), and one Mn(1) atom to form distorted SMnCr3 trigonal pyramids that share  a cornercorner with one S(1)MnCr3 trigonal pyramid, corners with two equivalent S(3)MnCr3 trigonal pyramids,  an edgeedge with one S(2)Cr3Cu trigonal pyramid, and edges with two equivalent S(3)MnCr3 trigonal pyramids. In the fourth S site, S(4) is bonded to one Cr(2), two equivalent Cr(4), and one Cu(1) atom to form distorted SCr3Cu trigonal pyramids that share  a cornercorner with one S(2)Cr3Cu trigonal pyramid, corners with two equivalent S(4)Cr3Cu trigonal pyramids, corners with two equivalent S(6)Cr3Cu trigonal pyramids,  an edgeedge with one S(1)MnCr3 trigonal pyramid, and edges with two equivalent S(4)Cr3Cu trigonal pyramids. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(3) and one Cu(2) atom. In the sixth S site, S(6) is bonded to three equivalent Cr(4) and one Cu(3) atom to form distorted SCr3Cu trigonal pyramids that share corners with three equivalent S(1)MnCr3 trigonal pyramids and corners with six equivalent S(4)Cr3Cu trigonal pyramids. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(4), and one Cu(2) 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(3), and one Cu(3) atom.
Cr8MnCu3S16 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 Mn(1)S4 tetrahedra, corners with three equivalent Cu(2)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 2.42 Å. All Cr(1)-S(7) bond lengths are 2.37 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 Cu(1)S4 tetrahedra, corners with three equivalent Cu(3)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 2.40 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 Cu(1)S4 tetrahedra,  a cornercorner with one Cu(2)S4 tetrahedra, corners with two equivalent Mn(1)S4 tetrahedra, corners with two equivalent Cu(3)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 2.40 Å. The Cr(3)-S(5) bond length is 2.40 Å. Both Cr(3)-S(3) bond lengths are 2.42 Å. Both Cr(3)-S(8) bond lengths are 2.37 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 Mn(1)S4 tetrahedra,  a cornercorner with one Cu(3)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Cu(2)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 2.42 Å. The Cr(4)-S(6) bond length is 2.38 Å. Both Cr(4)-S(4) bond lengths are 2.40 Å. Both Cr(4)-S(7) bond lengths are 2.40 Å. Mn(1) is bonded to one S(1) and three equivalent S(3) atoms to form MnS4 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 range from 58-59°. The Mn(1)-S(1) bond length is 2.31 Å. All Mn(1)-S(3) bond lengths are 2.32 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2) and three equivalent S(4) atoms to form CuS4 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 57-59°. The Cu(1)-S(2) bond length is 2.29 Å. All Cu(1)-S(4) bond lengths are 2.29 Å. In the second Cu site, Cu(2) is bonded to one S(5) and three equivalent S(7) 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 56-57°. The Cu(2)-S(5) bond length is 2.29 Å. All Cu(2)-S(7) bond lengths are 2.29 Å. In the third Cu site, Cu(3) is bonded to one S(6) and three equivalent S(8) atoms to form CuS4 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 57-58°. The Cu(3)-S(6) bond length is 2.28 Å. All Cu(3)-S(8) bond lengths are 2.29 Å. There are eight inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(4) and one Mn(1) atom to form distorted SMnCr3 trigonal pyramids that share corners with three equivalent S(6)Cr3Cu trigonal pyramids, corners with three equivalent S(3)MnCr3 trigonal pyramids, and edges with three equivalent S(4)Cr3Cu trigonal pyramids. In the second S site, S(2) is bonded to three equivalent Cr(3) and one Cu(1) atom to form distorted SCr3Cu trigonal pyramids that share corners with three equivalent S(4)Cr3Cu trigonal pyramids and edges with three equivalent S(3)MnCr3 trigonal pyramids. In the third S site, S(3) is bonded to one Cr(1), two equivalent Cr(3), and one Mn(1) atom to form distorted SMnCr3 trigonal pyramids that share  a cornercorner with one S(1)MnCr3 trigonal pyramid, corners with two equivalent S(3)MnCr3 trigonal pyramids,  an edgeedge with one S(2)Cr3Cu trigonal pyramid, and edges with two equivalent S(3)MnCr3 trigonal pyramids. In the fourth S site, S(4) is bonded to one Cr(2), two equivalent Cr(4), and one Cu(1) atom to form distorted SCr3Cu trigonal pyramids that share  a cornercorner with one S(2)Cr3Cu trigonal pyramid, corners with two equivalent S(4)Cr3Cu trigonal pyramids, corners with two equivalent S(6)Cr3Cu trigonal pyramids,  an edgeedge with one S(1)MnCr3 trigonal pyramid, and edges with two equivalent S(4)Cr3Cu trigonal pyramids. In the fifth S site, S(5) is bonded in a rectangular see-saw-like geometry to three equivalent Cr(3) and one Cu(2) atom. In the sixth S site, S(6) is bonded to three equivalent Cr(4) and one Cu(3) atom to form distorted SCr3Cu trigonal pyramids that share corners with three equivalent S(1)MnCr3 trigonal pyramids and corners with six equivalent S(4)Cr3Cu trigonal pyramids. In the seventh S site, S(7) is bonded in a rectangular see-saw-like geometry to one Cr(1), two equivalent Cr(4), and one Cu(2) 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(3), and one Cu(3) atom.