MgCoS2 crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. Co(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted edge-sharing CoS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Co(1) atoms. In the second S site, S(2) is bonded to three equivalent Mg(1) and three equivalent Co(1) atoms to form edge-sharing SMg3Co3 octahedra.
MgCoS2 crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. All Mg(1)-S(1) bond lengths are 2.66 Å. All Mg(1)-S(2) bond lengths are 2.64 Å. Co(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form distorted edge-sharing CoS6 octahedra. All Co(1)-S(1) bond lengths are 2.34 Å. All Co(1)-S(2) bond lengths are 2.39 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Co(1) atoms. In the second S site, S(2) is bonded to three equivalent Mg(1) and three equivalent Co(1) atoms to form edge-sharing SMg3Co3 octahedra.