Materials Data on GeBiPd6 by Materials Project

Abstract

Pd6GeBi crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to seven Pd, one Ge, and three equivalent Bi atoms. There are a spread of Pd–Pd bond distances ranging from 2.69–3.16 Å. The Pd–Ge bond length is 2.49 Å. All Pd–Bi bond lengths are 2.90 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to ten Pd, three equivalent Ge, and one Bi atom. There are a spread of Pd–Pd bond distances ranging from 2.70–3.02 Å. All Pd–Ge bond lengths are 2.74 Å. The Pd–Bi bond length is 2.96 Å. In the third Pd site, Pd is bonded in a 11-coordinate geometry to eight Pd and three equivalent Bi atoms. All Pd–Bi bond lengths are 3.16 Å. Ge is bonded in a body-centered cubic geometry to eight Pd atoms. Bi is bonded in a 8-coordinate geometry to fourteen Pd atoms.