MgV2S5 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. V(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of corner and edge-sharing VS5 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 V(1) atoms to form corner-sharing SMg2V2 tetrahedra. In the second S site, S(2) is bonded in a distorted see-saw-like geometry to one Mg(1) and three equivalent V(1) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one V(1) atom.
MgV2S5 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 2.63 Å. Both Mg(1)-S(2) bond lengths are 2.98 Å. All Mg(1)-S(3) bond lengths are 2.81 Å. V(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of corner and edge-sharing VS5 trigonal bipyramids. The V(1)-S(1) bond length is 2.38 Å. The V(1)-S(3) bond length is 2.13 Å. There are two shorter (2.34 Å) and one longer (2.42 Å) V(1)-S(2) bond length. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Mg(1) and two equivalent V(1) atoms to form corner-sharing SMg2V2 tetrahedra. In the second S site, S(2) is bonded in a distorted see-saw-like geometry to one Mg(1) and three equivalent V(1) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one V(1) atom.