Materials Data on Nd(GeIr)2 by Materials Project

Abstract

Nd(IrGe)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to eight Ir and eight Ge atoms. There are four shorter (3.25 Å) and four longer (3.39 Å) Nd–Ir bond lengths. There are four shorter (3.27 Å) and four longer (3.29 Å) Nd–Ge bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.53 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to four equivalent Nd and five Ge atoms. There are one shorter (2.46 Å) and four longer (2.50 Å) Ir–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Ir atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Nd and five Ir atoms.