CuCrTiS4 is Spinel-derived structured and crystallizes in the orthorhombic Ima2 space group. Ti(1) is bonded to one S(1), one S(3), and four equivalent S(2) 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 Cr(1)S6 octahedra. 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 six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Ti(1)S6 octahedra. Cu(1) is bonded to one S(1), one S(3), 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 Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Ti(1), two equivalent Cr(1), and one Cu(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1), one Cr(1), and one Cu(1) atom. In the third S site, S(3) is bonded to one Ti(1), two equivalent Cr(1), and one Cu(1) atom to form distorted corner-sharing STiCr2Cu trigonal pyramids.
CuCrTiS4 is Spinel-derived structured and crystallizes in the orthorhombic Ima2 space group. Ti(1) is bonded to one S(1), one S(3), and four equivalent S(2) 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 Cr(1)S6 octahedra. The Ti(1)-S(1) bond length is 2.38 Å. The Ti(1)-S(3) bond length is 2.50 Å. There are two shorter (2.43 Å) and two longer (2.46 Å) Ti(1)-S(2) 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 six equivalent Cu(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Ti(1)S6 octahedra. Both Cr(1)-S(1) bond lengths are 2.43 Å. Both Cr(1)-S(2) bond lengths are 2.43 Å. Both Cr(1)-S(3) bond lengths are 2.41 Å. Cu(1) is bonded to one S(1), one S(3), 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 Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. The Cu(1)-S(1) bond length is 2.28 Å. The Cu(1)-S(3) bond length is 2.26 Å. Both Cu(1)-S(2) 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 one Ti(1), two equivalent Cr(1), and one Cu(1) atom. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to two equivalent Ti(1), one Cr(1), and one Cu(1) atom. In the third S site, S(3) is bonded to one Ti(1), two equivalent Cr(1), and one Cu(1) atom to form distorted corner-sharing STiCr2Cu trigonal pyramids.