Materials Data on Al3Pd5 by Materials Project

Abstract

Al3Pd5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to six Al atoms. There are a spread of Pd–Al bond distances ranging from 2.54–2.89 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to six Al atoms. There are four shorter (2.69 Å) and two longer (2.72 Å) Pd–Al bond lengths. In the third Pd site, Pd is bonded in a 5-coordinate geometry to five Al atoms. There are a spread of Pd–Al bond distances ranging from 2.53–2.81 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to eight Pd atoms. In the second Al site, Al is bonded in a 10-coordinate geometry to ten Pd atoms.