MgMnFeS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Mn(1)S6 octahedra and corners with six equivalent Fe(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Fe(1)S6 octahedra. Fe(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form FeS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Fe(1)S6 octahedra, and edges with four equivalent Mn(1)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 Mg(1), two equivalent Mn(1), and one Fe(1) atom. In the second S site, S(2) is bonded to one Mg(1), one Mn(1), and two equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing SMgMnFe2 tetrahedra.
MgMnFeS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Mn(1)S6 octahedra and corners with six equivalent Fe(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. Both Mg(1)-S(1) bond lengths are 2.43 Å. Both Mg(1)-S(2) bond lengths are 2.44 Å. Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Fe(1)S6 octahedra. Both Mn(1)-S(2) bond lengths are 2.46 Å. All Mn(1)-S(1) bond lengths are 2.40 Å. Fe(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form FeS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Fe(1)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. Both Fe(1)-S(1) bond lengths are 2.31 Å. All Fe(1)-S(2) bond lengths are 2.31 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 Mg(1), two equivalent Mn(1), and one Fe(1) atom. In the second S site, S(2) is bonded to one Mg(1), one Mn(1), and two equivalent Fe(1) atoms to form a mixture of distorted corner and edge-sharing SMgMnFe2 tetrahedra.