Materials Data on Tb5Mg24 by Materials Project

Abstract

Mg24Tb5 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 2-coordinate geometry to eleven Mg and two equivalent Tb atoms. There are a spread of Mg–Mg bond distances ranging from 2.97–3.42 Å. There are one shorter (3.25 Å) and one longer (3.69 Å) Mg–Tb bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Tb atoms. There are one shorter (2.86 Å) and two longer (3.04 Å) Mg–Mg bond lengths. There are a spread of Mg–Tb bond distances ranging from 3.46–3.60 Å. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Tb atoms. All Tb–Tb bond lengths are 3.64 Å. In the second Tb site, Tb is bonded in a 3-coordinate geometry to fifteen Mg and one Tb atom.