Materials Data on Cs2AlGaH6 by Materials Project

Abstract

Cs2AlH6Ga crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four gallium molecules and one Cs2AlH6 framework. In the Cs2AlH6 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 AlH6 octahedra. All Cs–H bond lengths are 3.09 Å. Al is bonded to six equivalent H atoms to form AlH6 octahedra that share faces with eight equivalent CsH12 cuboctahedra. All Al–H bond lengths are 1.80 Å. H is bonded in a single-bond geometry to four equivalent Cs and one Al atom.