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DOE OSTI2020

Materials Data on ZnCuAu2 by Materials Project

Au2CuZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Zn atoms. All Au–Cu bond lengths are 2.72 Å. All Au–Zn bond lengths are 2.72 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Au atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ZnCuAu2 by Materials Project

Au2CuZn is alpha iridium vanadium-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded in a distorted body-centered cubic geometry to six equivalent Cu and two equivalent Zn atoms. There are two shorter (2.74 Å) and four longer (2.75 Å) Au–Cu bond lengths. Both Au–Zn bond lengths are 2.73 Å. In the second Au site, Au is bonded in a distorted body-centered cubic geometry to two equivalent Cu and six equivalent Zn atoms. Both Au–Cu bond lengths are 2.73 Å. There are a spread of Au–Zn bond distances ranging from 2.75–2.80 Å. Cu is bonded in a 8-coordinate geometry to eight Au atoms. Zn is bonded in a distorted body-centered cubic geometry to eight Au atoms.

36 MATERIALS SCIENCE↗