MgFeCu2SnS4 crystallizes in the orthorhombic P222 space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with four equivalent Sn(1)S4 tetrahedra, edges with two equivalent Fe(1)S4 tetrahedra, edges with two equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Cu(2)S4 tetrahedra. Fe(1) is bonded to four equivalent S(1) atoms to form distorted FeS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, corners with four equivalent Sn(1)S4 tetrahedra, and edges with two equivalent Mg(1)S4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, corners with four equivalent Sn(1)S4 tetrahedra, and edges with two equivalent Mg(1)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Sn(1)S4 tetrahedra, and edges with two equivalent Mg(1)S4 tetrahedra. Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Mg(1)S4 tetrahedra, corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Cu(2)S4 tetrahedra. S(1) is bonded to one Mg(1), one Fe(1), one Cu(1), one Cu(2), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing SMgFeCu2Sn trigonal bipyramids.
MgFeCu2SnS4 crystallizes in the orthorhombic P222 space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with four equivalent Sn(1)S4 tetrahedra, edges with two equivalent Fe(1)S4 tetrahedra, edges with two equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Cu(2)S4 tetrahedra. All Mg(1)-S(1) bond lengths are 2.35 Å. Fe(1) is bonded to four equivalent S(1) atoms to form distorted FeS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, corners with four equivalent Sn(1)S4 tetrahedra, and edges with two equivalent Mg(1)S4 tetrahedra. All Fe(1)-S(1) bond lengths are 2.41 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(2)S4 tetrahedra, corners with four equivalent Sn(1)S4 tetrahedra, and edges with two equivalent Mg(1)S4 tetrahedra. All Cu(1)-S(1) bond lengths are 2.49 Å. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent Sn(1)S4 tetrahedra, and edges with two equivalent Mg(1)S4 tetrahedra. All Cu(2)-S(1) bond lengths are 2.49 Å. Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Mg(1)S4 tetrahedra, corners with four equivalent Fe(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent Cu(2)S4 tetrahedra. All Sn(1)-S(1) bond lengths are 2.68 Å. S(1) is bonded to one Mg(1), one Fe(1), one Cu(1), one Cu(2), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing SMgFeCu2Sn trigonal bipyramids.