Materials Data on Ce2Mg5Au by Materials Project

Abstract

Mg5Ce2Au crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 3-coordinate geometry to one Mg, four equivalent Ce, and three equivalent Au atoms. The Mg–Mg bond length is 3.23 Å. There are one shorter (3.11 Å) and three longer (3.19 Å) Mg–Ce bond lengths. All Mg–Au bond lengths are 3.11 Å. In the second Mg site, Mg is bonded in a 8-coordinate geometry to three equivalent Mg, four equivalent Ce, and one Au atom. All Mg–Mg bond lengths are 3.17 Å. There are three shorter (3.09 Å) and one longer (3.18 Å) Mg–Ce bond lengths. The Mg–Au bond length is 3.05 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to eight Mg and six equivalent Ce atoms. All Mg–Ce bond lengths are 3.59 Å. Ce is bonded in a 8-coordinate geometry to eleven Mg and three equivalent Au atoms. All Ce–Au bond lengths are 3.65 Å. Au is bonded in a body-centered cubic geometry to eight Mg and six equivalent Ce atoms.