Ca2SnS4 crystallizes in the tetragonal I-4 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to four equivalent S(1) atoms to form CaS4 tetrahedra that share corners with four equivalent Ca(2)S4 tetrahedra and corners with four equivalent Sn(1)S4 tetrahedra. In the second Ca site, Ca(2) is bonded to four equivalent S(1) atoms to form CaS4 tetrahedra that share corners with four equivalent Ca(1)S4 tetrahedra and corners with four equivalent Sn(1)S4 tetrahedra. Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Ca(1)S4 tetrahedra and corners with four equivalent Ca(2)S4 tetrahedra. S(1) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Ca(2), and one Sn(1) atom.
Ca2SnS4 crystallizes in the tetragonal I-4 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to four equivalent S(1) atoms to form CaS4 tetrahedra that share corners with four equivalent Ca(2)S4 tetrahedra and corners with four equivalent Sn(1)S4 tetrahedra. All Ca(1)-S(1) bond lengths are 2.75 Å. In the second Ca site, Ca(2) is bonded to four equivalent S(1) atoms to form CaS4 tetrahedra that share corners with four equivalent Ca(1)S4 tetrahedra and corners with four equivalent Sn(1)S4 tetrahedra. All Ca(2)-S(1) bond lengths are 2.73 Å. Sn(1) is bonded to four equivalent S(1) atoms to form SnS4 tetrahedra that share corners with four equivalent Ca(1)S4 tetrahedra and corners with four equivalent Ca(2)S4 tetrahedra. All Sn(1)-S(1) bond lengths are 2.42 Å. S(1) is bonded in a trigonal non-coplanar geometry to one Ca(1), one Ca(2), and one Sn(1) atom.