Materials Data on Ce4MgRu by Materials Project

Abstract

Ce4RuMg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Ce atoms to form a mixture of face and corner-sharing MgCe9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. There are three shorter (3.34 Å) and six longer (3.55 Å) Mg–Ce bond lengths. There are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Ru atoms. All Ce–Ru bond lengths are 2.90 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Ru atoms. Both Ce–Ru bond lengths are 3.50 Å. In the third Ce site, Ce is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Ru atoms. Both Ce–Ru bond lengths are 2.76 Å. Ru is bonded in a 6-coordinate geometry to nine Ce atoms.