CaSnS3 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 six equivalent S(1) atoms to form distorted corner-sharing SnS6 octahedra. The corner-sharing octahedral tilt angles are 57°. S(1) is bonded to two equivalent Ca(1) and two equivalent Sn(1) atoms to form a mixture of corner and edge-sharing SCa2Sn2 tetrahedra.
CaSnS3 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 3.00 Å. Sn(1) is bonded to six equivalent S(1) atoms to form distorted corner-sharing SnS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Sn(1)-S(1) bond lengths are 2.58 Å. S(1) is bonded to two equivalent Ca(1) and two equivalent Sn(1) atoms to form a mixture of corner and edge-sharing SCa2Sn2 tetrahedra.