Materials Data on Gd4MgRu by Materials Project

Abstract

MgGd4Ru crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Gd atoms to form a mixture of corner and face-sharing MgGd9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.10 Å. There are a spread of Mg–Gd bond distances ranging from 3.36–3.60 Å. There are three inequivalent Gd sites. In the first Gd site, Gd is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Gd, and three equivalent Ru atoms. All Gd–Gd bond lengths are 3.54 Å. All Gd–Ru bond lengths are 2.87 Å. In the second Gd site, Gd is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Gd, and two equivalent Ru atoms. All Gd–Gd bond lengths are 3.68 Å. Both Gd–Ru bond lengths are 2.80 Å. In the third Gd site, Gd is bonded in a 4-coordinate geometry to two equivalent Mg, ten Gd, and two equivalent Ru atoms. All Gd–Gd bond lengths are 3.68 Å. Both Gd–Ru bond lengths are 3.54 Å. Ru is bonded in a 6-coordinate geometry to nine Gd atoms.