CuCrTiS4 crystallizes in the monoclinic P2_1/m space group. Ti(1) is bonded to three equivalent S(2) and three equivalent S(4) atoms to form TiS6 octahedra that share corners with six equivalent Cu(1)S6 octahedra, edges with six equivalent Ti(1)S6 octahedra, and  a faceface with one Cu(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. Cr(1) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form distorted CrS6 octahedra that share corners with six equivalent Cu(1)S6 octahedra, edges with six equivalent Cr(1)S6 octahedra, and  a faceface with one Cu(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. Cu(1) is bonded to one S(1), one S(2), two equivalent S(3), and two equivalent S(4) atoms to form CuS6 octahedra that share corners with six equivalent Ti(1)S6 octahedra, corners with six equivalent Cr(1)S6 octahedra, edges with two equivalent Cu(1)S6 octahedra,  a faceface with one Ti(1)S6 octahedra, and  a faceface with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(1) and one Cu(1) atom to form distorted SCr3Cu trigonal pyramids that share corners with two equivalent S(4)Ti3Cu2 trigonal bipyramids, corners with two equivalent S(1)Cr3Cu trigonal pyramids, and edges with two equivalent S(1)Cr3Cu trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Ti(1) and one Cu(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to three equivalent Cr(1) and two equivalent Cu(1) atoms. In the fourth S site, S(4) is bonded to three equivalent Ti(1) and two equivalent Cu(1) atoms to form distorted STi3Cu2 trigonal bipyramids that share corners with two equivalent S(1)Cr3Cu trigonal pyramids and edges with four equivalent S(4)Ti3Cu2 trigonal bipyramids.
CuCrTiS4 crystallizes in the monoclinic P2_1/m space group. Ti(1) is bonded to three equivalent S(2) and three equivalent S(4) atoms to form TiS6 octahedra that share corners with six equivalent Cu(1)S6 octahedra, edges with six equivalent Ti(1)S6 octahedra, and  a faceface with one Cu(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-48°. There are two shorter (2.42 Å) and one longer (2.45 Å) Ti(1)-S(2) bond length. There is one shorter (2.41 Å) and two longer (2.47 Å) Ti(1)-S(4) bond lengths. Cr(1) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form distorted CrS6 octahedra that share corners with six equivalent Cu(1)S6 octahedra, edges with six equivalent Cr(1)S6 octahedra, and  a faceface with one Cu(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. There is one shorter (2.26 Å) and two longer (2.30 Å) Cr(1)-S(1) bond lengths. There are two shorter (2.43 Å) and one longer (2.51 Å) Cr(1)-S(3) bond length. Cu(1) is bonded to one S(1), one S(2), two equivalent S(3), and two equivalent S(4) atoms to form CuS6 octahedra that share corners with six equivalent Ti(1)S6 octahedra, corners with six equivalent Cr(1)S6 octahedra, edges with two equivalent Cu(1)S6 octahedra,  a faceface with one Ti(1)S6 octahedra, and  a faceface with one Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. The Cu(1)-S(1) bond length is 2.42 Å. The Cu(1)-S(2) bond length is 2.39 Å. Both Cu(1)-S(3) bond lengths are 2.48 Å. Both Cu(1)-S(4) bond lengths are 2.49 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Cr(1) and one Cu(1) atom to form distorted SCr3Cu trigonal pyramids that share corners with two equivalent S(4)Ti3Cu2 trigonal bipyramids, corners with two equivalent S(1)Cr3Cu trigonal pyramids, and edges with two equivalent S(1)Cr3Cu trigonal pyramids. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to three equivalent Ti(1) and one Cu(1) atom. In the third S site, S(3) is bonded in a 5-coordinate geometry to three equivalent Cr(1) and two equivalent Cu(1) atoms. In the fourth S site, S(4) is bonded to three equivalent Ti(1) and two equivalent Cu(1) atoms to form distorted STi3Cu2 trigonal bipyramids that share corners with two equivalent S(1)Cr3Cu trigonal pyramids and edges with four equivalent S(4)Ti3Cu2 trigonal bipyramids.