Materials Data on Al4SiPd by Materials Project

Abstract

PdAl4Si crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pd is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.49 Å) and six longer (2.57 Å) Pd–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to three equivalent Pd and one Si atom to form a mixture of distorted edge and corner-sharing AlSiPd3 tetrahedra. The Al–Si bond length is 2.68 Å. In the second Al site, Al is bonded to one Pd and three equivalent Si atoms to form a mixture of distorted edge and corner-sharing AlSi3Pd tetrahedra. All Al–Si bond lengths are 2.63 Å. Si is bonded in a body-centered cubic geometry to eight Al atoms.