AgCrTiS4 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form distorted TiS6 octahedra that share corners with three equivalent Cr(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. Cr(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form CrS6 octahedra that share corners with three equivalent Ti(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. Ag(1) is bonded in a 7-coordinate geometry to two equivalent S(3), two equivalent S(4), and three equivalent S(1) atoms. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ti(1) and three equivalent Ag(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ti(1) and three equivalent Cr(1) atoms. In the third S site, S(3) is bonded to two equivalent Ti(1), one Cr(1), and two equivalent Ag(1) atoms to form distorted STi2CrAg2 trigonal bipyramids that share corners with two equivalent S(4)TiCr2Ag2 square pyramids, edges with three equivalent S(4)TiCr2Ag2 square pyramids, and edges with two equivalent S(3)Ti2CrAg2 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Ti(1), two equivalent Cr(1), and two equivalent Ag(1) atoms to form distorted STiCr2Ag2 square pyramids that share corners with two equivalent S(3)Ti2CrAg2 trigonal bipyramids, edges with two equivalent S(4)TiCr2Ag2 square pyramids, and edges with three equivalent S(3)Ti2CrAg2 trigonal bipyramids.
AgCrTiS4 crystallizes in the orthorhombic Pnma space group. Ti(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form distorted TiS6 octahedra that share corners with three equivalent Cr(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with two equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. The Ti(1)-S(2) bond length is 2.52 Å. The Ti(1)-S(4) bond length is 2.52 Å. Both Ti(1)-S(1) bond lengths are 2.39 Å. Both Ti(1)-S(3) bond lengths are 2.48 Å. Cr(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(2) atoms to form CrS6 octahedra that share corners with three equivalent Ti(1)S6 octahedra, edges with two equivalent Ti(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. The Cr(1)-S(3) bond length is 2.44 Å. Both Cr(1)-S(4) bond lengths are 2.35 Å. There are two shorter (2.47 Å) and one longer (2.48 Å) Cr(1)-S(2) bond length. Ag(1) is bonded in a 7-coordinate geometry to two equivalent S(3), two equivalent S(4), and three equivalent S(1) atoms. Both Ag(1)-S(3) bond lengths are 2.72 Å. Both Ag(1)-S(4) bond lengths are 2.88 Å. There is one shorter (2.67 Å) and two longer (2.85 Å) Ag(1)-S(1) bond lengths. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 5-coordinate geometry to two equivalent Ti(1) and three equivalent Ag(1) atoms. In the second S site, S(2) is bonded in a rectangular see-saw-like geometry to one Ti(1) and three equivalent Cr(1) atoms. In the third S site, S(3) is bonded to two equivalent Ti(1), one Cr(1), and two equivalent Ag(1) atoms to form distorted STi2CrAg2 trigonal bipyramids that share corners with two equivalent S(4)TiCr2Ag2 square pyramids, edges with three equivalent S(4)TiCr2Ag2 square pyramids, and edges with two equivalent S(3)Ti2CrAg2 trigonal bipyramids. In the fourth S site, S(4) is bonded to one Ti(1), two equivalent Cr(1), and two equivalent Ag(1) atoms to form distorted STiCr2Ag2 square pyramids that share corners with two equivalent S(3)Ti2CrAg2 trigonal bipyramids, edges with two equivalent S(4)TiCr2Ag2 square pyramids, and edges with three equivalent S(3)Ti2CrAg2 trigonal bipyramids.