Materials Data on Hf2Al3Au by Materials Project

Abstract

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.