Materials Data on CeAl3Pt by Materials Project

Abstract

CePtAl3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Pt and twelve Al atoms. All Ce–Pt bond lengths are 3.47 Å. There are eight shorter (3.20 Å) and four longer (3.47 Å) Ce–Al bond lengths. Pt is bonded in a 4-coordinate geometry to four equivalent Ce and eight Al atoms. There are four shorter (2.56 Å) and four longer (2.93 Å) Pt–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to four equivalent Ce, two equivalent Pt, and three Al atoms. There are one shorter (2.54 Å) and two longer (2.56 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four equivalent Ce, four equivalent Pt, and four equivalent Al atoms to form a mixture of distorted corner and face-sharing AlCe4Al4Pt4 cuboctahedra.