Materials Data on CsSn by Materials Project

Abstract

CsSn crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Cs–Sn bond distances ranging from 3.91–4.18 Å. In the second Cs site, Cs is bonded in a 6-coordinate geometry to six Sn atoms. There are three shorter (4.05 Å) and three longer (4.17 Å) Cs–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Cs and three equivalent Sn atoms. There are two shorter (2.98 Å) and one longer (3.01 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Cs and three equivalent Sn atoms. All Sn–Sn bond lengths are 2.99 Å.