Materials Data on Rb4Sn20Hg3 by Materials Project

Abstract

Rb4Hg3Sn20 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to twenty Sn atoms. There are eight shorter (3.95 Å) and twelve longer (4.14 Å) Rb–Sn bond lengths. In the second Rb site, Rb is bonded in a 8-coordinate geometry to eight equivalent Sn atoms. All Rb–Sn bond lengths are 4.19 Å. Hg is bonded in a tetrahedral geometry to four equivalent Sn atoms. All Hg–Sn bond lengths are 2.90 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted pentagonal planar geometry to one Rb and four Sn atoms. There are three shorter (2.90 Å) and one longer (2.91 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 7-coordinate geometry to three Rb, one Hg, and three Sn atoms. The Sn–Sn bond length is 2.93 Å.