Fe2Cu6Zn(SnS4)3 is Clathrate-derived structured and crystallizes in the tetragonal I-4 space group. Fe(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form FeS4 tetrahedra that share corners with two equivalent Cu(3)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, corners with two equivalent Sn(2)S4 tetrahedra, and corners with four equivalent Cu(1)S4 tetrahedra. There are four 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 Cu(3)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, corners with two equivalent Sn(2)S4 tetrahedra, and corners with four equivalent Fe(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(3) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(3)S4 tetrahedra, corners with four equivalent Zn(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. In the third Cu site, Cu(3) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Fe(1)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. In the fourth Cu site, Cu(4) is bonded to four equivalent S(2) atoms to form CuS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Sn(2)S4 tetrahedra. Zn(1) is bonded to four equivalent S(3) atoms to form ZnS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra, corners with four equivalent Cu(3)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form SnS4 tetrahedra that share corners with two equivalent Fe(1)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, and corners with four equivalent Cu(3)S4 tetrahedra. In the second Sn site, Sn(2) is bonded to four equivalent S(2) atoms to form SnS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Cu(4)S4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Fe(1), one Cu(1), one Cu(3), and one Sn(1) atom to form SFeCu2Sn tetrahedra that share corners with four equivalent S(1)FeCu2Sn tetrahedra, corners with four equivalent S(2)FeCu2Sn tetrahedra, and corners with four equivalent S(3)ZnCu2Sn tetrahedra. In the second S site, S(2) is bonded to one Fe(1), one Cu(1), one Cu(4), and one Sn(2) atom to form corner-sharing SFeCu2Sn tetrahedra. In the third S site, S(3) is bonded to one Cu(2), one Cu(3), one Zn(1), and one Sn(1) atom to form SZnCu2Sn tetrahedra that share corners with four equivalent S(1)FeCu2Sn tetrahedra and corners with eight equivalent S(3)ZnCu2Sn tetrahedra.
Fe2Cu6Zn(SnS4)3 is Clathrate-derived structured and crystallizes in the tetragonal I-4 space group. Fe(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form FeS4 tetrahedra that share corners with two equivalent Cu(3)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, corners with two equivalent Sn(2)S4 tetrahedra, and corners with four equivalent Cu(1)S4 tetrahedra. Both Fe(1)-S(1) bond lengths are 2.30 Å. Both Fe(1)-S(2) bond lengths are 2.30 Å. There are four 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 Cu(3)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra, corners with two equivalent Sn(1)S4 tetrahedra, corners with two equivalent Sn(2)S4 tetrahedra, and corners with four equivalent Fe(1)S4 tetrahedra. Both Cu(1)-S(1) bond lengths are 2.32 Å. Both Cu(1)-S(2) bond lengths are 2.32 Å. In the second Cu site, Cu(2) is bonded to four equivalent S(3) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(3)S4 tetrahedra, corners with four equivalent Zn(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. All Cu(2)-S(3) bond lengths are 2.30 Å. In the third Cu site, Cu(3) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Fe(1)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. Both Cu(3)-S(1) bond lengths are 2.32 Å. Both Cu(3)-S(3) bond lengths are 2.30 Å. In the fourth Cu site, Cu(4) is bonded to four equivalent S(2) atoms to form CuS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Sn(2)S4 tetrahedra. All Cu(4)-S(2) bond lengths are 2.31 Å. Zn(1) is bonded to four equivalent S(3) atoms to form ZnS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra, corners with four equivalent Cu(3)S4 tetrahedra, and corners with four equivalent Sn(1)S4 tetrahedra. All Zn(1)-S(3) bond lengths are 2.35 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form SnS4 tetrahedra that share corners with two equivalent Fe(1)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, corners with two equivalent Zn(1)S4 tetrahedra, and corners with four equivalent Cu(3)S4 tetrahedra. Both Sn(1)-S(1) bond lengths are 2.48 Å. Both Sn(1)-S(3) bond lengths are 2.47 Å. In the second Sn site, Sn(2) is bonded to four equivalent S(2) atoms to form SnS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Cu(4)S4 tetrahedra. All Sn(2)-S(2) bond lengths are 2.49 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Fe(1), one Cu(1), one Cu(3), and one Sn(1) atom to form SFeCu2Sn tetrahedra that share corners with four equivalent S(1)FeCu2Sn tetrahedra, corners with four equivalent S(2)FeCu2Sn tetrahedra, and corners with four equivalent S(3)ZnCu2Sn tetrahedra. In the second S site, S(2) is bonded to one Fe(1), one Cu(1), one Cu(4), and one Sn(2) atom to form corner-sharing SFeCu2Sn tetrahedra. In the third S site, S(3) is bonded to one Cu(2), one Cu(3), one Zn(1), and one Sn(1) atom to form SZnCu2Sn tetrahedra that share corners with four equivalent S(1)FeCu2Sn tetrahedra and corners with eight equivalent S(3)ZnCu2Sn tetrahedra.