Mn2SnS4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MnS4 tetrahedra that share corners with six equivalent Mn(2)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. 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 Mn(1)S4 tetrahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Mn(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Mn(2)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Sn(1) atom.
Mn2SnS4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MnS4 tetrahedra that share corners with six equivalent Mn(2)S6 octahedra and corners with six equivalent Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. Both Mn(1)-S(1) bond lengths are 2.15 Å. Both Mn(1)-S(2) bond lengths are 2.21 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 Mn(1)S4 tetrahedra, edges with two equivalent Mn(2)S6 octahedra, and edges with four equivalent Sn(1)S6 octahedra. Both Mn(2)-S(1) bond lengths are 2.49 Å. All Mn(2)-S(2) bond lengths are 2.51 Å. Sn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SnS6 octahedra that share corners with six equivalent Mn(1)S4 tetrahedra, edges with two equivalent Sn(1)S6 octahedra, and edges with four equivalent Mn(2)S6 octahedra. Both Sn(1)-S(2) bond lengths are 2.67 Å. All Sn(1)-S(1) bond lengths are 2.68 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Sn(1) atom.