Materials Data on ZrIr by Materials Project

Abstract

ZrIr crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 5-coordinate geometry to seven Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.71–3.24 Å. In the second Zr site, Zr is bonded in a body-centered cubic geometry to eight Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.73–2.90 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Zr atoms. In the second Ir site, Ir is bonded in a 7-coordinate geometry to seven Zr atoms.