Materials Data on Al3Au8 by Materials Project

Abstract

Au8Al3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are four inequivalent Au sites. In the first Au site, Au is bonded in a 4-coordinate geometry to four Al atoms. There are one shorter (2.63 Å) and three longer (2.85 Å) Au–Al bond lengths. In the second Au site, Au is bonded to four Al atoms to form a mixture of distorted corner and edge-sharing AuAl4 tetrahedra. There are one shorter (2.70 Å) and three longer (2.82 Å) Au–Al bond lengths. In the third Au site, Au is bonded to four Al atoms to form a mixture of distorted corner and edge-sharing AuAl4 tetrahedra. There are a spread of Au–Al bond distances ranging from 2.65–2.85 Å. In the fourth Au site, Au is bonded in a 3-coordinate geometry to three Al atoms. There are a spread of Au–Al bond distances ranging from 2.70–2.84 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to eight Au atoms. In the second Al site, Al is bonded in a distorted q6 geometry to ten Au atoms. In the third Al site, Al is bonded in a distorted q6 geometry to ten Au atoms.