MgNiS2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. Ni(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing NiS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and three equivalent Ni(1) atoms to form edge-sharing SMg3Ni3 octahedra. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Ni(1) atoms.
MgNiS2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. There is one shorter (2.62 Å) and two longer (2.63 Å) Mg(1)-S(1) bond lengths. There is one shorter (2.63 Å) and two longer (2.64 Å) Mg(1)-S(2) bond lengths. Ni(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing NiS6 octahedra. There are two shorter (2.40 Å) and one longer (2.41 Å) Ni(1)-S(1) bond length. There are two shorter (2.38 Å) and one longer (2.39 Å) Ni(1)-S(2) bond length. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and three equivalent Ni(1) atoms to form edge-sharing SMg3Ni3 octahedra. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Mg(1) and three equivalent Ni(1) atoms.