Materials Data on Zn5Pd3 by Materials Project

Abstract

Pd3Zn5 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 Zn atoms. There are eight shorter (2.66 Å) and one longer (3.07 Å) Pd–Zn bond lengths. In the second Pd site, Pd is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pd–Zn bond lengths are 2.66 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 8-coordinate geometry to four equivalent Pd and four equivalent Zn atoms. All Zn–Zn bond lengths are 2.66 Å. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight Pd atoms. In the third Zn site, Zn is bonded in a 10-coordinate geometry to two equivalent Pd and eight equivalent Zn atoms.