Materials Data on CeAlRh by Materials Project

Abstract

CeRhAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to five Rh and six Al atoms. There are a spread of Ce–Rh bond distances ranging from 2.93–3.11 Å. There are a spread of Ce–Al bond distances ranging from 3.16–3.32 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to five Rh atoms. There are a spread of Ce–Rh bond distances ranging from 2.71–3.02 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to four Ce and five Al atoms. There are a spread of Rh–Al bond distances ranging from 2.62–2.66 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six Ce and three Al atoms. There are a spread of Rh–Al bond distances ranging from 2.65–2.80 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to three equivalent Ce and four Rh atoms. In the second Al site, Al is bonded to three equivalent Ce and four Rh atoms to form a mixture of distorted face and edge-sharing AlCe3Rh4 tetrahedra.