Materials Data on CeAl4Pd by Materials Project

Abstract

CePdAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to two equivalent Pd and thirteen Al atoms. Both Ce–Pd bond lengths are 3.34 Å. There are a spread of Ce–Al bond distances ranging from 2.93–3.48 Å. Pd is bonded in a 7-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pd–Al bond distances ranging from 2.42–2.60 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to three equivalent Ce, one Pd, and four equivalent Al atoms. All Al–Al bond lengths are 2.93 Å. In the second Al site, Al is bonded in a distorted q6 geometry to four equivalent Ce and six Al atoms. Both Al–Al bond lengths are 2.90 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Ce, three equivalent Pd, and one Al atom.