Materials Data on Hf3Ga3Pd2Pt by Materials Project

Abstract

Hf3PtPd2Ga3 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a 11-coordinate geometry to two equivalent Pt, three Pd, and six equivalent Ga atoms. Both Hf–Pt bond lengths are 2.86 Å. There are two shorter (2.78 Å) and one longer (2.88 Å) Hf–Pd bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.97–3.16 Å. In the second Hf site, Hf is bonded in a 11-coordinate geometry to two equivalent Pt, three Pd, and six equivalent Ga atoms. Both Hf–Pt bond lengths are 2.77 Å. There are two shorter (2.86 Å) and one longer (2.88 Å) Hf–Pd bond lengths. There are a spread of Hf–Ga bond distances ranging from 2.97–3.16 Å. Pt is bonded in a 9-coordinate geometry to six Hf and three equivalent Ga atoms. All Pt–Ga bond lengths are 2.69 Å. There are three inequivalent Pd sites. In the first 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 2.59 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 2.58 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to six Hf and three equivalent Ga atoms. All Pd–Ga bond lengths are 2.68 Å. Ga is bonded in a 10-coordinate geometry to six Hf, one Pt, and three Pd atoms.