CuTiS4 crystallizes in the orthorhombic Imma space group. 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 Cu(1)S4 tetrahedra and edges with two equivalent Ti(1)S6 octahedra. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with six equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to one Ti(1) and one Cu(1) atom. In the second S site, S(2) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one Cu(1) atom.
CuTiS4 crystallizes in the orthorhombic Imma space group. 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 Cu(1)S4 tetrahedra and edges with two equivalent Ti(1)S6 octahedra. Both Ti(1)-S(1) bond lengths are 2.34 Å. All Ti(1)-S(2) bond lengths are 2.42 Å. Cu(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form CuS4 tetrahedra that share corners with six equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. Both Cu(1)-S(1) bond lengths are 2.21 Å. Both Cu(1)-S(2) bond lengths are 2.25 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded in a bent 120 degrees geometry to one Ti(1) and one Cu(1) atom. In the second S site, S(2) is bonded in a distorted trigonal planar geometry to two equivalent Ti(1) and one Cu(1) atom.