Materials Data on ZrSnIr by Materials Project

Abstract

IrZrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are one shorter (2.91 Å) and four longer (2.94 Å) Zr–Ir bond lengths. There are two shorter (3.12 Å) and four longer (3.19 Å) Zr–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.72 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.74 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Zr and four Ir atoms.