CuCrTiS4 crystallizes in the monoclinic P2/m space group. Ti(1) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form TiS6 octahedra that share corners with two equivalent Cu(1)S6 octahedra, corners with four equivalent Cu(2)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and  a faceface with one Cu(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. Cr(1) is bonded to one S(2), one S(3), two equivalent S(1), and two equivalent S(4) atoms to form CrS6 octahedra that share corners with two equivalent Cu(2)S6 octahedra, corners with four equivalent Cu(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Ti(1)S6 octahedra, and  a faceface with one Cu(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(1) and four equivalent S(3) atoms to form CuS6 octahedra that share corners with four equivalent Ti(1)S6 octahedra, corners with eight equivalent Cr(1)S6 octahedra, edges with two equivalent Cu(1)S6 octahedra, and faces with two equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Cu site, Cu(2) is bonded to two equivalent S(2) and four equivalent S(4) atoms to form CuS6 octahedra that share corners with four equivalent Cr(1)S6 octahedra, corners with eight equivalent Ti(1)S6 octahedra, edges with two equivalent Cu(2)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are four 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(2) atom. In the third S site, S(3) is bonded to two equivalent Ti(1), one Cr(1), and two equivalent Cu(1) atoms to form distorted STi2CrCu2 trigonal bipyramids that share corners with two equivalent S(3)Ti2CrCu2 trigonal bipyramids, edges with two equivalent S(4)TiCr2Cu2 trigonal bipyramids, and edges with three equivalent S(3)Ti2CrCu2 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Ti(1), two equivalent Cr(1), and two equivalent Cu(2) atoms to form distorted STiCr2Cu2 trigonal bipyramids that share corners with two equivalent S(4)TiCr2Cu2 trigonal bipyramids, edges with two equivalent S(3)Ti2CrCu2 trigonal bipyramids, and edges with three equivalent S(4)TiCr2Cu2 trigonal bipyramids.
CuCrTiS4 crystallizes in the monoclinic P2/m space group. Ti(1) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form TiS6 octahedra that share corners with two equivalent Cu(1)S6 octahedra, corners with four equivalent Cu(2)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, edges with four equivalent Cr(1)S6 octahedra, and  a faceface with one Cu(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Ti(1)-S(1) bond length is 2.35 Å. The Ti(1)-S(4) bond length is 2.52 Å. Both Ti(1)-S(2) bond lengths are 2.40 Å. Both Ti(1)-S(3) bond lengths are 2.50 Å. Cr(1) is bonded to one S(2), one S(3), two equivalent S(1), and two equivalent S(4) atoms to form CrS6 octahedra that share corners with two equivalent Cu(2)S6 octahedra, corners with four equivalent Cu(1)S6 octahedra, edges with two equivalent Cr(1)S6 octahedra, edges with four equivalent Ti(1)S6 octahedra, and  a faceface with one Cu(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. The Cr(1)-S(2) bond length is 2.41 Å. The Cr(1)-S(3) bond length is 2.42 Å. Both Cr(1)-S(1) bond lengths are 2.38 Å. Both Cr(1)-S(4) bond lengths are 2.42 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(1) and four equivalent S(3) atoms to form CuS6 octahedra that share corners with four equivalent Ti(1)S6 octahedra, corners with eight equivalent Cr(1)S6 octahedra, edges with two equivalent Cu(1)S6 octahedra, and faces with two equivalent Ti(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. Both Cu(1)-S(1) bond lengths are 2.45 Å. All Cu(1)-S(3) bond lengths are 2.52 Å. In the second Cu site, Cu(2) is bonded to two equivalent S(2) and four equivalent S(4) atoms to form CuS6 octahedra that share corners with four equivalent Cr(1)S6 octahedra, corners with eight equivalent Ti(1)S6 octahedra, edges with two equivalent Cu(2)S6 octahedra, and faces with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. Both Cu(2)-S(2) bond lengths are 2.40 Å. All Cu(2)-S(4) bond lengths are 2.52 Å. There are four 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(2) atom. In the third S site, S(3) is bonded to two equivalent Ti(1), one Cr(1), and two equivalent Cu(1) atoms to form distorted STi2CrCu2 trigonal bipyramids that share corners with two equivalent S(3)Ti2CrCu2 trigonal bipyramids, edges with two equivalent S(4)TiCr2Cu2 trigonal bipyramids, and edges with three equivalent S(3)Ti2CrCu2 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Ti(1), two equivalent Cr(1), and two equivalent Cu(2) atoms to form distorted STiCr2Cu2 trigonal bipyramids that share corners with two equivalent S(4)TiCr2Cu2 trigonal bipyramids, edges with two equivalent S(3)Ti2CrCu2 trigonal bipyramids, and edges with three equivalent S(4)TiCr2Cu2 trigonal bipyramids.