TiVCuS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. 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 Cu(1)S4 tetrahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. V(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form VS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four 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 and corners with six equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. There are two inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1), one V(1), and one Cu(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent V(1), and one Cu(1) atom.
TiVCuS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. 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 Cu(1)S4 tetrahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with four equivalent V(1)S6 octahedra. Both Ti(1)-S(2) bond lengths are 2.44 Å. All Ti(1)-S(1) bond lengths are 2.44 Å. V(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form VS6 octahedra that share corners with six equivalent Cu(1)S4 tetrahedra, edges with two equivalent V(1)S6 octahedra, and edges with four equivalent Ti(1)S6 octahedra. Both V(1)-S(1) bond lengths are 2.43 Å. All V(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 and corners with six equivalent V(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. Both Cu(1)-S(1) bond lengths are 2.25 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 rectangular see-saw-like geometry to two equivalent Ti(1), one V(1), and one Cu(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent V(1), and one Cu(1) atom.