CaSn2S5 crystallizes in the cubic Fd-3m space group. Ca(1) is bonded in a hexagonal planar geometry to six equivalent S(1) atoms. Sn(1) is bonded to one S(1) and three equivalent S(2) atoms to form corner-sharing SnS4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Ca(1) and one Sn(1) atom to form a mixture of corner and edge-sharing SCa3Sn tetrahedra. In the second S site, S(2) is bonded in a water-like geometry to two equivalent Sn(1) atoms.
CaSn2S5 crystallizes in the cubic Fd-3m space group. Ca(1) is bonded in a hexagonal planar geometry to six equivalent S(1) atoms. All Ca(1)-S(1) bond lengths are 3.25 Å. Sn(1) is bonded to one S(1) and three equivalent S(2) atoms to form corner-sharing SnS4 tetrahedra. The Sn(1)-S(1) bond length is 2.34 Å. All Sn(1)-S(2) bond lengths are 2.43 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Ca(1) and one Sn(1) atom to form a mixture of corner and edge-sharing SCa3Sn tetrahedra. In the second S site, S(2) is bonded in a water-like geometry to two equivalent Sn(1) atoms.