Materials Data on CeY2(AlPd)3 by Materials Project

Abstract

CeY2(PdAl)3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ce is bonded in a 5-coordinate geometry to five Pd and six Al atoms. There are four shorter (2.93 Å) and one longer (3.05 Å) Ce–Pd bond lengths. There are two shorter (3.23 Å) and four longer (3.33 Å) Ce–Al bond lengths. Y is bonded in a 5-coordinate geometry to five Pd and six Al atoms. There are a spread of Y–Pd bond distances ranging from 2.97–2.99 Å. There are a spread of Y–Al bond distances ranging from 3.20–3.30 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Ce, four equivalent Y, and three Al atoms. There are a spread of Pd–Al bond distances ranging from 2.80–2.83 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to one Ce, two equivalent Y, and six Al atoms. There are two shorter (2.64 Å) and four longer (2.65 Å) Pd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to two equivalent Ce, four equivalent Y, and four Pd atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Ce, four equivalent Y, and four Pd atoms.