MgMnS2 is Caswellsilverite-like structured and 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. Mn(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing MnS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form a mixture of edge, corner, and face-sharing SMg3Mn3 octahedra. In the second S site, S(2) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form a mixture of distorted edge, corner, and face-sharing SMg3Mn3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-47°.
MgMnS2 is Caswellsilverite-like structured and 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 (2.65 Å) and two longer (2.66 Å) Mg(1)-S(1) bond lengths. There is one shorter (2.66 Å) and two longer (2.68 Å) Mg(1)-S(2) bond lengths. Mn(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing MnS6 octahedra. All Mn(1)-S(1) bond lengths are 2.58 Å. All Mn(1)-S(2) bond lengths are 2.59 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form a mixture of edge, corner, and face-sharing SMg3Mn3 octahedra. In the second S site, S(2) is bonded to three equivalent Mg(1) and three equivalent Mn(1) atoms to form a mixture of distorted edge, corner, and face-sharing SMg3Mn3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-47°.