Materials Data on Rb4SnS4 by Materials Project
Rb4SnS4 crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Rb–S bond distances ranging from 3.35–3.67 Å. In the second Rb1+ site, Rb1+ is bonded to six S2- atoms to form distorted RbS6 octahedra that share corners with three equivalent SnS4 tetrahedra, edges with three equivalent RbS6 octahedra, and a faceface with one SnS4 tetrahedra. There are three shorter (3.44 Å) and three longer (3.64 Å) Rb–S bond lengths. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share corners with four equivalent RbS6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Sn–S bond lengths are 2.42 Å. In the second Sn4+ site, Sn4+ is bonded to four equivalent S2- atoms to form SnS4 tetrahedra that share faces with four equivalent RbS6 octahedra. All Sn–S bond lengths are 2.42 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to six Rb1+ and one Sn4+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to six Rb1+ and one Sn4+ atom.