Materials Data on HfGaPd by Materials Project

Abstract

HfPdGa crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to five Pd and six equivalent Ga atoms. There are a spread of Hf–Pd bond distances ranging from 2.78–2.87 Å. There are a spread of Hf–Ga bond distances ranging from 2.97–3.14 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ga atoms. All Pd–Ga bond lengths are 2.67 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.60 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Hf and four Pd atoms.