Materials Data on CeScAl4 by Materials Project

Abstract

CeScAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Al atoms. All Ce–Sc bond lengths are 3.38 Å. All Ce–Al bond lengths are 3.23 Å. Sc is bonded in a 12-coordinate geometry to four equivalent Ce and twelve equivalent Al atoms. All Sc–Al bond lengths are 3.24 Å. Al is bonded to three equivalent Ce, three equivalent Sc, and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlCe3Sc3Al6 cuboctahedra. There are three shorter (2.75 Å) and three longer (2.76 Å) Al–Al bond lengths.