CaSnS3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Ca(1) is bonded to six equivalent S(1) atoms to form distorted CaS6 pentagonal pyramids that share corners with nine equivalent Sn(1)S6 octahedra, edges with three equivalent Ca(1)S6 pentagonal pyramids, and  a faceface with one Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. Sn(1) is bonded to six equivalent S(1) atoms to form SnS6 octahedra that share corners with nine equivalent Ca(1)S6 pentagonal pyramids, edges with three equivalent Sn(1)S6 octahedra, and  a faceface with one Ca(1)S6 pentagonal pyramid. S(1) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1) and two equivalent Sn(1) atoms.
CaSnS3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. Ca(1) is bonded to six equivalent S(1) atoms to form distorted CaS6 pentagonal pyramids that share corners with nine equivalent Sn(1)S6 octahedra, edges with three equivalent Ca(1)S6 pentagonal pyramids, and  a faceface with one Sn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 40-63°. There are three shorter (2.78 Å) and three longer (2.93 Å) Ca(1)-S(1) bond lengths. Sn(1) is bonded to six equivalent S(1) atoms to form SnS6 octahedra that share corners with nine equivalent Ca(1)S6 pentagonal pyramids, edges with three equivalent Sn(1)S6 octahedra, and  a faceface with one Ca(1)S6 pentagonal pyramid. There are three shorter (2.58 Å) and three longer (2.63 Å) Sn(1)-S(1) bond lengths. S(1) is bonded in a distorted see-saw-like geometry to two equivalent Ca(1) and two equivalent Sn(1) atoms.