Materials Data on Cs2TlSiH6 by Materials Project

Abstract

Cs2SiH6Tl crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four thallium molecules and one Cs2SiH6 framework. In the Cs2SiH6 framework, Cs is bonded to twelve equivalent H atoms to form distorted CsH12 cuboctahedra that share corners with twelve equivalent CsH12 cuboctahedra, faces with six equivalent CsH12 cuboctahedra, and faces with four equivalent SiH6 octahedra. All Cs–H bond lengths are 3.23 Å. Si is bonded to six equivalent H atoms to form SiH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All Si–H bond lengths are 1.66 Å. H is bonded in a single-bond geometry to four equivalent Cs and one Si atom.