Materials Data on AsPd6Pb by Materials Project
Pd6PbAs 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 8-coordinate geometry to ten Pd, one Pb, and three equivalent As atoms. There are a spread of Pd–Pd bond distances ranging from 2.72–3.19 Å. The Pd–Pb bond length is 2.94 Å. All Pd–As bond lengths are 2.73 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to seven Pd, three equivalent Pb, and one As atom. There are three shorter (2.69 Å) and one longer (2.84 Å) Pd–Pd bond lengths. All Pd–Pb bond lengths are 2.86 Å. The Pd–As bond length is 2.56 Å. In the third Pd site, Pd is bonded in a 11-coordinate geometry to eight Pd and three equivalent Pb atoms. All Pd–Pb bond lengths are 3.14 Å. Pb is bonded in a 8-coordinate geometry to fourteen Pd atoms. As is bonded in a body-centered cubic geometry to eight Pd atoms.