Materials Data on Al3SiPd4 by Materials Project

Abstract

Pd4Al3Si is alpha-derived structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 7-coordinate geometry to six equivalent Al and one Si atom. There are three shorter (2.61 Å) and three longer (2.65 Å) Pd–Al bond lengths. The Pd–Si bond length is 2.51 Å. In the second Pd site, Pd is bonded in a 7-coordinate geometry to five equivalent Al and two equivalent Si atoms. There are a spread of Pd–Al bond distances ranging from 2.59–2.66 Å. There are one shorter (2.55 Å) and one longer (2.68 Å) Pd–Si bond lengths. Al is bonded in a 7-coordinate geometry to seven Pd atoms. Si is bonded in a 7-coordinate geometry to seven Pd atoms.