Materials Data on LaYAl4 by Materials Project

Abstract

LaYAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Al atoms. All La–Y bond lengths are 3.47 Å. All La–Al bond lengths are 3.33 Å. Y is bonded in a 12-coordinate geometry to four equivalent La and twelve equivalent Al atoms. All Y–Al bond lengths are 3.33 Å. Al is bonded to three equivalent La, three equivalent Y, and six equivalent Al atoms to form a mixture of edge, face, and corner-sharing AlLa3Y3Al6 cuboctahedra. All Al–Al bond lengths are 2.84 Å.