MgTiMnS4 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 Ti(1)S6 octahedra and corners with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. Ti(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form TiS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. 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 Ti(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Ti(1), and two equivalent Mn(1) atoms to form distorted SMgTiMn2 trigonal pyramids that share corners with six equivalent S(2)MgTi2Mn trigonal pyramids, corners with six equivalent S(1)MgTiMn2 trigonal pyramids,  an edgeedge with one S(1)MgTiMn2 trigonal pyramid, and edges with two equivalent S(2)MgTi2Mn trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent Ti(1), and one Mn(1) atom to form distorted SMgTi2Mn trigonal pyramids that share corners with six equivalent S(2)MgTi2Mn trigonal pyramids, corners with six equivalent S(1)MgTiMn2 trigonal pyramids,  an edgeedge with one S(2)MgTi2Mn trigonal pyramid, and edges with two equivalent S(1)MgTiMn2 trigonal pyramids.
MgTiMnS4 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 Ti(1)S6 octahedra and corners with six equivalent Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-60°. Both Mg(1)-S(1) bond lengths are 2.43 Å. Both Mg(1)-S(2) bond lengths are 2.45 Å. Ti(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form TiS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with four equivalent Mn(1)S6 octahedra. Both Ti(1)-S(1) bond lengths are 2.48 Å. All Ti(1)-S(2) bond lengths are 2.46 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 Ti(1)S6 octahedra. Both Mn(1)-S(2) bond lengths are 2.59 Å. All Mn(1)-S(1) bond lengths are 2.47 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Ti(1), and two equivalent Mn(1) atoms to form distorted SMgTiMn2 trigonal pyramids that share corners with six equivalent S(2)MgTi2Mn trigonal pyramids, corners with six equivalent S(1)MgTiMn2 trigonal pyramids,  an edgeedge with one S(1)MgTiMn2 trigonal pyramid, and edges with two equivalent S(2)MgTi2Mn trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent Ti(1), and one Mn(1) atom to form distorted SMgTi2Mn trigonal pyramids that share corners with six equivalent S(2)MgTi2Mn trigonal pyramids, corners with six equivalent S(1)MgTiMn2 trigonal pyramids,  an edgeedge with one S(2)MgTi2Mn trigonal pyramid, and edges with two equivalent S(1)MgTiMn2 trigonal pyramids.