MgCo2S5 crystallizes in the orthorhombic Pmmn space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. Co(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of edge and corner-sharing CoS5 trigonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Mg(1) and two equivalent Co(1) atoms to form corner-sharing SMg2Co2 tetrahedra. In the second S site, S(2) is bonded in a distorted see-saw-like geometry to one Mg(1) and three equivalent Co(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Co(1), and one S(3) atom.
MgCo2S5 crystallizes in the orthorhombic Pmmn space group. Mg(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. Both Mg(1)-S(1) bond lengths are 2.48 Å. Both Mg(1)-S(2) bond lengths are 2.99 Å. All Mg(1)-S(3) bond lengths are 2.68 Å. Co(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of edge and corner-sharing CoS5 trigonal bipyramids. The Co(1)-S(1) bond length is 2.23 Å. The Co(1)-S(3) bond length is 2.16 Å. There is one shorter (2.19 Å) and two longer (2.23 Å) Co(1)-S(2) bond lengths. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Mg(1) and two equivalent Co(1) atoms to form corner-sharing SMg2Co2 tetrahedra. In the second S site, S(2) is bonded in a distorted see-saw-like geometry to one Mg(1) and three equivalent Co(1) atoms. In the third S site, S(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1), one Co(1), and one S(3) atom. The S(3)-S(3) bond length is 2.15 Å.