Materials Data on CsGa2Au3 by Materials Project

Abstract

CsAu3Ga2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs is bonded in a 11-coordinate geometry to eleven Au atoms. There are a spread of Cs–Au bond distances ranging from 3.51–3.92 Å. There are three inequivalent Au sites. In the first Au site, Au is bonded in a 5-coordinate geometry to four equivalent Cs and four equivalent Ga atoms. There are two shorter (2.64 Å) and two longer (2.78 Å) Au–Ga bond lengths. In the second Au site, Au is bonded in a 4-coordinate geometry to three equivalent Cs and four equivalent Ga atoms. There are two shorter (2.73 Å) and two longer (2.75 Å) Au–Ga bond lengths. In the third Au site, Au is bonded in a 11-coordinate geometry to four equivalent Cs and four equivalent Ga atoms. There are two shorter (2.64 Å) and two longer (2.82 Å) Au–Ga bond lengths. Ga is bonded in a 6-coordinate geometry to six Au atoms.