Materials Data on YErAl4 by Materials Project

Abstract

ErYAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Al atoms. All Er–Y bond lengths are 3.40 Å. All Er–Al bond lengths are 3.25 Å. Y is bonded in a 12-coordinate geometry to four equivalent Er and twelve equivalent Al atoms. All Y–Al bond lengths are 3.25 Å. Al is bonded to three equivalent Er, three equivalent Y, and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlY3Er3Al6 cuboctahedra. There are three shorter (2.77 Å) and three longer (2.78 Å) Al–Al bond lengths.