Mg(MnS2)4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(4) atoms to form MgS4 tetrahedra that share corners with six equivalent Mn(1)S6 octahedra and corners with six equivalent Mn(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 61-62°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form MnS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Mn(2)S6 octahedra. In the second Mn site, Mn(2) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form MnS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing SMgMn3 tetrahedra. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. In the fourth S site, S(4) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of corner and edge-sharing SMgMn3 tetrahedra.
Mg(MnS2)4 crystallizes in the orthorhombic Imm2 space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(4) atoms to form MgS4 tetrahedra that share corners with six equivalent Mn(1)S6 octahedra and corners with six equivalent Mn(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 61-62°. Both Mg(1)-S(1) bond lengths are 2.39 Å. Both Mg(1)-S(4) bond lengths are 2.38 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one S(1), one S(3), two equivalent S(2), and two equivalent S(4) atoms to form MnS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Mn(2)S6 octahedra. The Mn(1)-S(1) bond length is 2.40 Å. The Mn(1)-S(3) bond length is 2.31 Å. Both Mn(1)-S(2) bond lengths are 2.31 Å. Both Mn(1)-S(4) bond lengths are 2.40 Å. In the second Mn site, Mn(2) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form MnS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. The Mn(2)-S(2) bond length is 2.31 Å. The Mn(2)-S(4) bond length is 2.40 Å. Both Mn(2)-S(1) bond lengths are 2.40 Å. Both Mn(2)-S(3) bond lengths are 2.31 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Mn(1), and two equivalent Mn(2) atoms to form a mixture of corner and edge-sharing SMgMn3 tetrahedra. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(2) atoms. In the fourth S site, S(4) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of corner and edge-sharing SMgMn3 tetrahedra.