MgLaTiS4 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form MgS4 tetrahedra that share corners with three equivalent La(1)S6 octahedra, corners with three equivalent La(2)S6 octahedra, corners with three equivalent Ti(1)S6 octahedra, and corners with three equivalent Ti(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(2)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with two equivalent Ti(2)S6 octahedra. In the second La site, La(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with two equivalent Ti(2)S6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms to form TiS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, edges with two equivalent La(2)S6 octahedra, and edges with two equivalent Ti(2)S6 octahedra. In the second Ti site, Ti(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms to form TiS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, edges with two equivalent La(2)S6 octahedra, and edges with two equivalent Ti(1)S6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(2), one Ti(1), and one Ti(2) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), one La(2), and one Ti(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), one La(2), and one Ti(1) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), one Ti(1), and one Ti(2) atom.
MgLaTiS4 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. Mg(1) is bonded to one S(1), one S(2), one S(3), and one S(4) atom to form MgS4 tetrahedra that share corners with three equivalent La(1)S6 octahedra, corners with three equivalent La(2)S6 octahedra, corners with three equivalent Ti(1)S6 octahedra, and corners with three equivalent Ti(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 46-66°. The Mg(1)-S(1) bond length is 2.60 Å. The Mg(1)-S(2) bond length is 2.44 Å. The Mg(1)-S(3) bond length is 2.45 Å. The Mg(1)-S(4) bond length is 2.59 Å. There are two inequivalent La sites. In the first La site, La(1) is bonded to two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(2)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with two equivalent Ti(2)S6 octahedra. Both La(1)-S(2) bond lengths are 2.82 Å. Both La(1)-S(3) bond lengths are 2.82 Å. Both La(1)-S(4) bond lengths are 2.86 Å. In the second La site, La(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form LaS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with two equivalent Ti(2)S6 octahedra. Both La(2)-S(1) bond lengths are 2.86 Å. Both La(2)-S(2) bond lengths are 2.83 Å. Both La(2)-S(3) bond lengths are 2.81 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent S(1), two equivalent S(3), and two equivalent S(4) atoms to form TiS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, edges with two equivalent La(2)S6 octahedra, and edges with two equivalent Ti(2)S6 octahedra. Both Ti(1)-S(1) bond lengths are 2.58 Å. Both Ti(1)-S(3) bond lengths are 2.49 Å. Both Ti(1)-S(4) bond lengths are 2.59 Å. In the second Ti site, Ti(2) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(4) atoms to form TiS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent La(1)S6 octahedra, edges with two equivalent La(2)S6 octahedra, and edges with two equivalent Ti(1)S6 octahedra. Both Ti(2)-S(1) bond lengths are 2.59 Å. Both Ti(2)-S(2) bond lengths are 2.49 Å. Both Ti(2)-S(4) bond lengths are 2.58 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(2), one Ti(1), and one Ti(2) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), one La(2), and one Ti(2) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), one La(2), and one Ti(1) atom. In the fourth S site, S(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one La(1), one Ti(1), and one Ti(2) atom.