Materials Data on AsPd3 by Materials Project

Abstract

Pd3As crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to twelve Pd and two equivalent As atoms. There are a spread of Pd–Pd bond distances ranging from 2.75–3.26 Å. There are one shorter (2.49 Å) and one longer (2.54 Å) Pd–As bond lengths. In the second Pd site, Pd is bonded in a 4-coordinate geometry to five Pd and four equivalent As atoms. There are a spread of Pd–Pd bond distances ranging from 2.85–2.95 Å. There are a spread of Pd–As bond distances ranging from 2.58–2.68 Å. In the third Pd site, Pd is bonded in a 2-coordinate geometry to ten Pd and three equivalent As atoms. Both Pd–Pd bond lengths are 2.97 Å. There are a spread of Pd–As bond distances ranging from 2.49–2.70 Å. As is bonded in a 9-coordinate geometry to nine Pd atoms.