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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeMgAu by Materials Project

MgCeAu crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four Au atoms. There are two shorter (2.82 Å) and two longer (2.98 Å) Mg–Au bond lengths. Ce is bonded in a 5-coordinate geometry to five Au atoms. There are four shorter (3.13 Å) and one longer (3.20 Å) Ce–Au bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Ce atoms. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Mg5Au by Materials Project

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.

36 MATERIALS SCIENCE↗