MgZn(CoS2)4 is Spinel-derived structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded to one S(2) and three equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent Co(1)S6 octahedra and corners with nine equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent S(1) and three equivalent S(4) atoms to form CoS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Zn(1)S4 tetrahedra, and edges with six equivalent Co(2)S6 octahedra. In the second Co site, Co(2) is bonded to one S(2), one S(3), two equivalent S(1), and two equivalent S(4) atoms to form CoS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Zn(1)S4 tetrahedra, edges with two equivalent Co(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. Zn(1) is bonded to one S(3) and three equivalent S(4) atoms to form ZnS4 tetrahedra that share corners with three equivalent Co(1)S6 octahedra and corners with nine equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-61°. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Co(1), and two equivalent Co(2) atoms to form distorted SMgCo3 tetrahedra that share  a cornercorner with one S(2)MgCo3 tetrahedra, corners with two equivalent S(1)MgCo3 tetrahedra, corners with two equivalent S(3)ZnCo3 tetrahedra, corners with seven equivalent S(4)ZnCo3 tetrahedra,  an edgeedge with one S(2)MgCo3 tetrahedra, and edges with two equivalent S(1)MgCo3 tetrahedra. In the second S site, S(2) is bonded to one Mg(1) and three equivalent Co(2) atoms to form distorted SMgCo3 tetrahedra that share corners with three equivalent S(1)MgCo3 tetrahedra, corners with three equivalent S(3)ZnCo3 tetrahedra, corners with six equivalent S(4)ZnCo3 tetrahedra, and edges with three equivalent S(1)MgCo3 tetrahedra. In the third S site, S(3) is bonded to three equivalent Co(2) and one Zn(1) atom to form distorted SZnCo3 tetrahedra that share corners with three equivalent S(2)MgCo3 tetrahedra, corners with three equivalent S(4)ZnCo3 tetrahedra, corners with six equivalent S(1)MgCo3 tetrahedra, and edges with three equivalent S(4)ZnCo3 tetrahedra. In the fourth S site, S(4) is bonded to one Co(1), two equivalent Co(2), and one Zn(1) atom to form distorted SZnCo3 tetrahedra that share  a cornercorner with one S(3)ZnCo3 tetrahedra, corners with two equivalent S(2)MgCo3 tetrahedra, corners with two equivalent S(4)ZnCo3 tetrahedra, corners with seven equivalent S(1)MgCo3 tetrahedra,  an edgeedge with one S(3)ZnCo3 tetrahedra, and edges with two equivalent S(4)ZnCo3 tetrahedra.
MgZn(CoS2)4 is Spinel-derived structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded to one S(2) and three equivalent S(1) atoms to form MgS4 tetrahedra that share corners with three equivalent Co(1)S6 octahedra and corners with nine equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles are 61°. The Mg(1)-S(2) bond length is 2.42 Å. All Mg(1)-S(1) bond lengths are 2.41 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent S(1) and three equivalent S(4) atoms to form CoS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Zn(1)S4 tetrahedra, and edges with six equivalent Co(2)S6 octahedra. All Co(1)-S(1) bond lengths are 2.26 Å. All Co(1)-S(4) bond lengths are 2.29 Å. In the second Co site, Co(2) is bonded to one S(2), one S(3), two equivalent S(1), and two equivalent S(4) atoms to form CoS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, corners with three equivalent Zn(1)S4 tetrahedra, edges with two equivalent Co(1)S6 octahedra, and edges with four equivalent Co(2)S6 octahedra. The Co(2)-S(2) bond length is 2.26 Å. The Co(2)-S(3) bond length is 2.29 Å. Both Co(2)-S(1) bond lengths are 2.26 Å. Both Co(2)-S(4) bond lengths are 2.29 Å. Zn(1) is bonded to one S(3) and three equivalent S(4) atoms to form ZnS4 tetrahedra that share corners with three equivalent Co(1)S6 octahedra and corners with nine equivalent Co(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 60-61°. The Zn(1)-S(3) bond length is 2.38 Å. All Zn(1)-S(4) bond lengths are 2.38 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Co(1), and two equivalent Co(2) atoms to form distorted SMgCo3 tetrahedra that share  a cornercorner with one S(2)MgCo3 tetrahedra, corners with two equivalent S(1)MgCo3 tetrahedra, corners with two equivalent S(3)ZnCo3 tetrahedra, corners with seven equivalent S(4)ZnCo3 tetrahedra,  an edgeedge with one S(2)MgCo3 tetrahedra, and edges with two equivalent S(1)MgCo3 tetrahedra. In the second S site, S(2) is bonded to one Mg(1) and three equivalent Co(2) atoms to form distorted SMgCo3 tetrahedra that share corners with three equivalent S(1)MgCo3 tetrahedra, corners with three equivalent S(3)ZnCo3 tetrahedra, corners with six equivalent S(4)ZnCo3 tetrahedra, and edges with three equivalent S(1)MgCo3 tetrahedra. In the third S site, S(3) is bonded to three equivalent Co(2) and one Zn(1) atom to form distorted SZnCo3 tetrahedra that share corners with three equivalent S(2)MgCo3 tetrahedra, corners with three equivalent S(4)ZnCo3 tetrahedra, corners with six equivalent S(1)MgCo3 tetrahedra, and edges with three equivalent S(4)ZnCo3 tetrahedra. In the fourth S site, S(4) is bonded to one Co(1), two equivalent Co(2), and one Zn(1) atom to form distorted SZnCo3 tetrahedra that share  a cornercorner with one S(3)ZnCo3 tetrahedra, corners with two equivalent S(2)MgCo3 tetrahedra, corners with two equivalent S(4)ZnCo3 tetrahedra, corners with seven equivalent S(1)MgCo3 tetrahedra,  an edgeedge with one S(3)ZnCo3 tetrahedra, and edges with two equivalent S(4)ZnCo3 tetrahedra.