MgWCu2S4 crystallizes in the tetragonal P-42m space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with eight equivalent Cu(1)W2S4 tetrahedra. W(1) is bonded in a 8-coordinate geometry to four equivalent Cu(1) and four equivalent S(1) atoms. Cu(1) is bonded to two equivalent W(1) and four equivalent S(1) atoms to form distorted CuW2S4 tetrahedra that share corners with two equivalent Cu(1)W2S4 tetrahedra, corners with four equivalent Mg(1)S4 tetrahedra, corners with eight equivalent S(1)MgCu2W tetrahedra, and edges with four equivalent Cu(1)W2S4 tetrahedra. S(1) is bonded to one Mg(1), one W(1), and two equivalent Cu(1) atoms to form distorted SMgCu2W tetrahedra that share corners with four equivalent Cu(1)W2S4 tetrahedra, corners with eight equivalent S(1)MgCu2W tetrahedra, and edges with two equivalent S(1)MgCu2W tetrahedra.
MgWCu2S4 crystallizes in the tetragonal P-42m space group. Mg(1) is bonded to four equivalent S(1) atoms to form MgS4 tetrahedra that share corners with eight equivalent Cu(1)W2S4 tetrahedra. All Mg(1)-S(1) bond lengths are 2.47 Å. W(1) is bonded in a 8-coordinate geometry to four equivalent Cu(1) and four equivalent S(1) atoms. All W(1)-Cu(1) bond lengths are 2.72 Å. All W(1)-S(1) bond lengths are 2.31 Å. Cu(1) is bonded to two equivalent W(1) and four equivalent S(1) atoms to form distorted CuW2S4 tetrahedra that share corners with two equivalent Cu(1)W2S4 tetrahedra, corners with four equivalent Mg(1)S4 tetrahedra, corners with eight equivalent S(1)MgCu2W tetrahedra, and edges with four equivalent Cu(1)W2S4 tetrahedra. All Cu(1)-S(1) bond lengths are 2.35 Å. S(1) is bonded to one Mg(1), one W(1), and two equivalent Cu(1) atoms to form distorted SMgCu2W tetrahedra that share corners with four equivalent Cu(1)W2S4 tetrahedra, corners with eight equivalent S(1)MgCu2W tetrahedra, and edges with two equivalent S(1)MgCu2W tetrahedra.