Cu6Fe2S8Sn1 is Matlockite-derived structured and crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent S(2) atoms to form FeS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra, edges with two equivalent Fe(2)S4 tetrahedra, and edges with four equivalent Cu(1)S4 tetrahedra. In the second Fe site, Fe(2) is bonded to four equivalent S(2) atoms to form FeS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra, corners with eight equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Fe(1)S4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Fe(2)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and  an edgeedge with one Fe(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Fe(1)S4 tetrahedra, corners with two equivalent Fe(2)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, and corners with eight equivalent Cu(1)S4 tetrahedra. Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Cu(2), two equivalent Cu(1), and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with six equivalent S(1)Cu3Sn tetrahedra and corners with six equivalent S(2)Fe2Cu3 trigonal bipyramids. In the second S site, S(2) is bonded to one Fe(1), one Fe(2), one Cu(2), and two equivalent Cu(1) atoms to form distorted SFe2Cu3 trigonal bipyramids that share corners with six equivalent S(1)Cu3Sn tetrahedra, corners with three equivalent S(2)Fe2Cu3 trigonal bipyramids, and edges with three equivalent S(2)Fe2Cu3 trigonal bipyramids.
Cu6Fe2S8Sn1 is Matlockite-derived structured and crystallizes in the tetragonal P-4m2 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four equivalent S(2) atoms to form FeS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra, edges with two equivalent Fe(2)S4 tetrahedra, and edges with four equivalent Cu(1)S4 tetrahedra. All Fe(1)-S(2) bond lengths are 2.28 Å. In the second Fe site, Fe(2) is bonded to four equivalent S(2) atoms to form FeS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra, corners with eight equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Fe(1)S4 tetrahedra. All Fe(2)-S(2) bond lengths are 2.26 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Fe(2)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, and  an edgeedge with one Fe(1)S4 tetrahedra. Both Cu(1)-S(1) bond lengths are 2.28 Å. Both Cu(1)-S(2) bond lengths are 2.34 Å. In the second Cu site, Cu(2) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with two equivalent Fe(1)S4 tetrahedra, corners with two equivalent Fe(2)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, and corners with eight equivalent Cu(1)S4 tetrahedra. Both Cu(2)-S(1) bond lengths are 2.29 Å. Both Cu(2)-S(2) bond lengths are 2.33 Å. Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra and corners with eight equivalent Cu(1)S4 tetrahedra. All Sn(1)-S(1) bond lengths are 2.45 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Cu(2), two equivalent Cu(1), and one Sn(1) atom to form SCu3Sn tetrahedra that share corners with six equivalent S(1)Cu3Sn tetrahedra and corners with six equivalent S(2)Fe2Cu3 trigonal bipyramids. In the second S site, S(2) is bonded to one Fe(1), one Fe(2), one Cu(2), and two equivalent Cu(1) atoms to form distorted SFe2Cu3 trigonal bipyramids that share corners with six equivalent S(1)Cu3Sn tetrahedra, corners with three equivalent S(2)Fe2Cu3 trigonal bipyramids, and edges with three equivalent S(2)Fe2Cu3 trigonal bipyramids.