Materials Data on ZnPd2 by Materials Project

Abstract

Pd2Zn crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Pd and four equivalent Zn atoms. All Pd–Pd bond lengths are 2.80 Å. All Pd–Zn bond lengths are 2.59 Å. 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 2.68 Å. In the third Pd site, Pd is bonded in a 8-coordinate geometry to twelve Pd and two equivalent Zn atoms. All Pd–Pd bond lengths are 3.06 Å. Both Pd–Zn bond lengths are 3.20 Å. Zn is bonded in a body-centered cubic geometry to nine Pd atoms.