Materials Data on GdYAl4 by Materials Project

Abstract

GdYAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Al atoms. All Gd–Y bond lengths are 3.42 Å. All Gd–Al bond lengths are 3.27 Å. Y is bonded in a 12-coordinate geometry to four equivalent Gd and twelve equivalent Al atoms. All Y–Al bond lengths are 3.27 Å. Al is bonded to three equivalent Gd, three equivalent Y, and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlGd3Y3Al6 cuboctahedra. All Al–Al bond lengths are 2.79 Å.