Materials Data on Er5Mg24 by Materials Project

Abstract

Mg24Er5 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Er atoms. There are a spread of Mg–Mg bond distances ranging from 2.87–3.41 Å. There are three shorter (3.46 Å) and one longer (3.57 Å) Mg–Er bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two equivalent Er atoms. There are two shorter (3.31 Å) and four longer (3.34 Å) Mg–Mg bond lengths. There are one shorter (3.22 Å) and one longer (3.65 Å) Mg–Er bond lengths. There are two inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to fifteen Mg and one Er atom. The Er–Er bond length is 3.63 Å. In the second Er site, Er is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Er atoms.