Materials Data on Zr8AgPd3 by Materials Project

Abstract

(Zr2Pd)3AgZr2 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one AgZr2 sheet oriented in the (0, 0, 1) direction and three Zr2Pd sheets oriented in the (0, 0, 1) direction. In the AgZr2 sheet, Zr is bonded in a 8-coordinate geometry to four equivalent Ag atoms. All Zr–Ag bond lengths are 3.02 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Zr atoms. In each Zr2Pd sheet, there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Pd atoms. All Zr–Pd bond lengths are 2.94 Å. In the second Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Pd atoms. All Zr–Pd bond lengths are 2.90 Å. Pd is bonded in a body-centered cubic geometry to eight Zr atoms.