Materials Data on CeAl5Pt3 by Materials Project

Abstract

CePt3Al5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to six Pt and eleven Al atoms. There are a spread of Ce–Pt bond distances ranging from 3.23–3.26 Å. There are a spread of Ce–Al bond distances ranging from 3.23–3.59 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.52–2.64 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.50–2.68 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to two equivalent Ce and seven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.52–2.73 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to one Ce and five Pt atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to one Ce and four Pt atoms. In the third Al site, Al is bonded to three equivalent Ce and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlCe3Pt4 tetrahedra. In the fourth Al site, Al is bonded to three equivalent Ce and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlCe3Pt4 tetrahedra. In the fifth Al site, Al is bonded to three equivalent Ce and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlCe3Pt4 tetrahedra.