CuCrTiS4 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form distorted TiS6 octahedra that share corners with four equivalent Ti(1)S6 octahedra, corners with four equivalent Cr(1)S6 octahedra, corners with four equivalent Cu(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and  an edgeedge with one Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-49°. Cr(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CrS6 octahedra that share corners with four equivalent Ti(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, edges with two equivalent Ti(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-49°. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with four equivalent Ti(1)S6 octahedra,  an edgeedge with one Ti(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. There are three 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 Cr(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 Cr(1), and one Cu(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent Cr(1), and one Cu(1) atom.
CuCrTiS4 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to one S(2), one S(3), and four equivalent S(1) atoms to form distorted TiS6 octahedra that share corners with four equivalent Ti(1)S6 octahedra, corners with four equivalent Cr(1)S6 octahedra, corners with four equivalent Cu(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and  an edgeedge with one Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-49°. The Ti(1)-S(2) bond length is 2.40 Å. The Ti(1)-S(3) bond length is 2.42 Å. There are two shorter (2.40 Å) and two longer (2.54 Å) Ti(1)-S(1) bond lengths. Cr(1) is bonded to two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms to form CrS6 octahedra that share corners with four equivalent Ti(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, edges with two equivalent Ti(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-49°. Both Cr(1)-S(1) bond lengths are 2.42 Å. Both Cr(1)-S(2) bond lengths are 2.43 Å. Both Cr(1)-S(3) bond lengths are 2.37 Å. Cu(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with two equivalent Cr(1)S6 octahedra, corners with four equivalent Ti(1)S6 octahedra,  an edgeedge with one Ti(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. The Cu(1)-S(2) bond length is 2.32 Å. The Cu(1)-S(3) bond length is 2.23 Å. Both Cu(1)-S(1) bond lengths are 2.25 Å. There are three 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 Cr(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 Cr(1), and one Cu(1) atom. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent Cr(1), and one Cu(1) atom.