CaSn2S5 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(3), and four equivalent S(2) atoms. Sn(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form corner-sharing SnS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Ca(1) and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Sn(1) atom. In the third S site, S(3) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Sn(1) atoms.
CaSn2S5 crystallizes in the orthorhombic Pnma space group. Ca(1) is bonded in a 7-coordinate geometry to one S(1), two equivalent S(3), and four equivalent S(2) atoms. The Ca(1)-S(1) bond length is 3.02 Å. Both Ca(1)-S(3) bond lengths are 3.13 Å. There are two shorter (2.90 Å) and two longer (3.12 Å) Ca(1)-S(2) bond lengths. Sn(1) is bonded to one S(1), one S(2), and two equivalent S(3) atoms to form corner-sharing SnS4 tetrahedra. The Sn(1)-S(1) bond length is 2.46 Å. The Sn(1)-S(2) bond length is 2.34 Å. There is one shorter (2.43 Å) and one longer (2.48 Å) Sn(1)-S(3) bond length. There are three inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one Ca(1) and two equivalent Sn(1) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Sn(1) atom. In the third S site, S(3) is bonded in a trigonal planar geometry to one Ca(1) and two equivalent Sn(1) atoms.