Materials Data on CeYAl4 by Materials Project

Abstract

CeYAl4 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 Y and twelve equivalent Al atoms. All Ce–Y bond lengths are 3.45 Å. All Ce–Al bond lengths are 3.30 Å. Y is bonded in a 12-coordinate geometry to four equivalent Ce and twelve equivalent Al atoms. All Y–Al bond lengths are 3.30 Å. Al is bonded to three equivalent Ce, three equivalent Y, and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlCe3Y3Al6 cuboctahedra. There are three shorter (2.80 Å) and three longer (2.83 Å) Al–Al bond lengths.