Materials Data on Cu3Pd2 by Materials Project

Abstract

Pd2Cu3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted body-centered cubic geometry to nine Cu atoms. There are eight shorter (2.62 Å) and one longer (2.89 Å) Pd–Cu bond lengths. In the second Pd site, Pd is bonded in a body-centered cubic geometry to eight Cu atoms. All Pd–Cu bond lengths are 2.59 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a 8-coordinate geometry to four equivalent Pd and four equivalent Cu atoms. All Cu–Cu bond lengths are 2.50 Å. In the second Cu site, Cu is bonded in a body-centered cubic geometry to eight Pd atoms. In the third Cu site, Cu is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. In the fourth Cu site, Cu is bonded in a 10-coordinate geometry to two equivalent Pd and eight equivalent Cu atoms.