Mg2Mn3InS8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Mn(2)S6 octahedra, corners with three equivalent In(1)S6 octahedra, and corners with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with two equivalent In(1)S6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent In(1)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. In(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form InS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted corner-sharing SMgMn3 trigonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one In(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Mn(1), and one In(1) atom.
Mg2Mn3InS8 is Spinel-derived structured and crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with three equivalent Mn(2)S6 octahedra, corners with three equivalent In(1)S6 octahedra, and corners with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. The Mg(1)-S(1) bond length is 2.46 Å. The Mg(1)-S(3) bond length is 2.47 Å. Both Mg(1)-S(2) bond lengths are 2.46 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with two equivalent In(1)S6 octahedra. Both Mn(1)-S(1) bond lengths are 2.53 Å. Both Mn(1)-S(2) bond lengths are 2.44 Å. Both Mn(1)-S(3) bond lengths are 2.46 Å. In the second Mn site, Mn(2) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent In(1)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. Both Mn(2)-S(1) bond lengths are 2.48 Å. All Mn(2)-S(2) bond lengths are 2.47 Å. In(1) is bonded to two equivalent S(3) and four equivalent S(2) atoms to form InS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. Both In(1)-S(3) bond lengths are 2.62 Å. All In(1)-S(2) bond lengths are 2.61 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form distorted corner-sharing SMgMn3 trigonal pyramids. In the second S site, S(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one In(1) atom. In the third S site, S(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Mn(1), and one In(1) atom.