CaTi2S5 crystallizes in the orthorhombic Pmmn space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. Ti(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of corner and edge-sharing TiS5 trigonal bipyramids. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ca(1) and two equivalent Ti(1) atoms to form distorted corner-sharing SCa2Ti2 trigonal pyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Ca(1) and three equivalent Ti(1) atoms. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Ti(1) atom.
CaTi2S5 crystallizes in the orthorhombic Pmmn space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. Both Ca(1)-S(1) bond lengths are 2.94 Å. Both Ca(1)-S(2) bond lengths are 3.12 Å. All Ca(1)-S(3) bond lengths are 2.99 Å. Ti(1) is bonded to one S(1), one S(3), and three equivalent S(2) atoms to form a mixture of corner and edge-sharing TiS5 trigonal bipyramids. The Ti(1)-S(1) bond length is 2.38 Å. The Ti(1)-S(3) bond length is 2.16 Å. There are two shorter (2.41 Å) and one longer (2.49 Å) Ti(1)-S(2) bond length. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Ca(1) and two equivalent Ti(1) atoms to form distorted corner-sharing SCa2Ti2 trigonal pyramids. In the second S site, S(2) is bonded in a 4-coordinate geometry to one Ca(1) and three equivalent Ti(1) atoms. In the third S site, S(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ca(1) and one Ti(1) atom.