MgS2 is pyrite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing MgS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one S(2) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one S(1) atom.
MgS2 is pyrite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing MgS6 octahedra. There is one shorter (2.58 Å) and two longer (2.60 Å) Mg(1)-S(1) bond lengths. There are two shorter (2.59 Å) and one longer (2.61 Å) Mg(1)-S(2) bond length. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one S(2) atom. The S(1)-S(2) bond length is 2.08 Å. In the second S site, S(2) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one S(1) atom.