MgZn(CoS2)4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form MgS6 octahedra that share corners with six equivalent Co(3)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with six equivalent Zn(1)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Co(3)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. In the second Co site, Co(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CoS6 octahedra that share edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, edges with two equivalent Co(2)S6 octahedra, edges with two equivalent Co(3)S6 octahedra, and edges with two equivalent Zn(1)S6 octahedra. In the third Co site, Co(3) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with six equivalent Mg(1)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. Zn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form ZnS6 octahedra that share corners with six equivalent Co(1)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Co(3)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Co(1), two equivalent Co(2), and one Zn(1) atom. In the second S site, S(2) is bonded to one Mg(1), one Co(1), one Co(2), one Co(3), and one Zn(1) atom to form a mixture of corner and edge-sharing SMgZnCo3 square pyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(3), and two equivalent Co(2) atoms.
MgZn(CoS2)4 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form MgS6 octahedra that share corners with six equivalent Co(3)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. Both Mg(1)-S(3) bond lengths are 2.50 Å. All Mg(1)-S(2) bond lengths are 2.59 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with six equivalent Zn(1)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Co(3)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. Both Co(1)-S(1) bond lengths are 2.34 Å. All Co(1)-S(2) bond lengths are 2.31 Å. In the second Co site, Co(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CoS6 octahedra that share edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, edges with two equivalent Co(2)S6 octahedra, edges with two equivalent Co(3)S6 octahedra, and edges with two equivalent Zn(1)S6 octahedra. Both Co(2)-S(1) bond lengths are 2.26 Å. Both Co(2)-S(2) bond lengths are 2.24 Å. Both Co(2)-S(3) bond lengths are 2.28 Å. In the third Co site, Co(3) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form CoS6 octahedra that share corners with six equivalent Mg(1)S6 octahedra, edges with two equivalent Co(1)S6 octahedra, edges with two equivalent Zn(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-11°. Both Co(3)-S(3) bond lengths are 2.29 Å. All Co(3)-S(2) bond lengths are 2.30 Å. Zn(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form ZnS6 octahedra that share corners with six equivalent Co(1)S6 octahedra, edges with two equivalent Mg(1)S6 octahedra, edges with two equivalent Co(3)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 10-13°. Both Zn(1)-S(1) bond lengths are 2.45 Å. All Zn(1)-S(2) bond lengths are 2.58 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Co(1), two equivalent Co(2), and one Zn(1) atom. In the second S site, S(2) is bonded to one Mg(1), one Co(1), one Co(2), one Co(3), and one Zn(1) atom to form a mixture of corner and edge-sharing SMgZnCo3 square pyramids. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(3), and two equivalent Co(2) atoms.