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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HfAlAu2 by Materials Project

HfAu2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Hf–Au bond lengths are 2.87 Å. Au is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Al atoms. All Au–Al bond lengths are 2.87 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2Al3Au by Materials Project

Hf2AuAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hf is bonded in a 3-coordinate geometry to four equivalent Hf, three equivalent Au, and nine equivalent Al atoms. There are one shorter (3.16 Å) and three longer (3.27 Å) Hf–Hf bond lengths. All Hf–Au bond lengths are 3.13 Å. There are six shorter (3.10 Å) and three longer (3.11 Å) Hf–Al bond lengths. Au is bonded to six equivalent Hf and six equivalent Al atoms to form a mixture of edge and corner-sharing AuHf6Al6 cuboctahedra. All Au–Al bond lengths are 2.64 Å. Al is bonded in a distorted linear geometry to six equivalent Hf and two equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf3AlAu2 by Materials Project

Hf3Au2Al crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hf is bonded in a 2-coordinate geometry to four equivalent Au atoms. There are two shorter (2.84 Å) and two longer (3.08 Å) Hf–Au bond lengths. Au is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Al atoms. All Au–Al bond lengths are 2.71 Å. Al is bonded to six equivalent Au atoms to form distorted edge-sharing AlAu6 cuboctahedra.

36 MATERIALS SCIENCE↗