Ti2ZnS5 crystallizes in the orthorhombic Pmmn space group. Ti(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of edge and corner-sharing TiS5 trigonal bipyramids. Zn(1) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ti(1) and two equivalent Zn(1) atoms to form corner-sharing STi2Zn2 tetrahedra. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ti(1) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Zn(1) atoms.
Ti2ZnS5 crystallizes in the orthorhombic Pmmn space group. Ti(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of edge and corner-sharing TiS5 trigonal bipyramids. The Ti(1)-S(1) bond length is 2.49 Å. The Ti(1)-S(3) bond length is 2.19 Å. There are two shorter (2.36 Å) and one longer (2.48 Å) Ti(1)-S(2) bond length. Zn(1) is bonded in a 6-coordinate geometry to two equivalent S(1) and four equivalent S(3) atoms. Both Zn(1)-S(1) bond lengths are 2.58 Å. All Zn(1)-S(3) bond lengths are 2.75 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ti(1) and two equivalent Zn(1) atoms to form corner-sharing STi2Zn2 tetrahedra. In the second S site, S(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ti(1) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one Ti(1) and two equivalent Zn(1) atoms.