MgYTiS4 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 Y(1)S6 octahedra and corners with six equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. Y(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form YS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra, and edges with four equivalent Ti(1)S6 octahedra. Ti(1) is bonded to two equivalent S(2) and four equivalent S(1) 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 Y(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), one Y(1), and two equivalent Ti(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Y(1), and one Ti(1) atom.
MgYTiS4 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 Y(1)S6 octahedra and corners with six equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-63°. Both Mg(1)-S(1) bond lengths are 2.50 Å. Both Mg(1)-S(2) bond lengths are 2.44 Å. Y(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form YS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Y(1)S6 octahedra, and edges with four equivalent Ti(1)S6 octahedra. Both Y(1)-S(1) bond lengths are 2.74 Å. All Y(1)-S(2) bond lengths are 2.70 Å. Ti(1) is bonded to two equivalent S(2) and four equivalent S(1) 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 Y(1)S6 octahedra. Both Ti(1)-S(2) bond lengths are 2.50 Å. All Ti(1)-S(1) bond lengths are 2.55 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), one Y(1), and two equivalent Ti(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Y(1), and one Ti(1) atom.