Materials Data on Nd11In9Pd4 by Materials Project

Abstract

Nd11Pd4In9 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are five inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to four equivalent Pd and five In atoms. All Nd–Pd bond lengths are 3.10 Å. There are one shorter (3.14 Å) and four longer (3.39 Å) Nd–In bond lengths. In the second Nd site, Nd is bonded in a 8-coordinate geometry to two equivalent Pd and six In atoms. Both Nd–Pd bond lengths are 2.91 Å. There are a spread of Nd–In bond distances ranging from 3.32–3.50 Å. In the third Nd site, Nd is bonded in a 9-coordinate geometry to four equivalent Pd and five In atoms. All Nd–Pd bond lengths are 3.12 Å. There are one shorter (3.15 Å) and four longer (3.39 Å) Nd–In bond lengths. In the fourth Nd site, Nd is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.38 Å) and four longer (3.53 Å) Nd–In bond lengths. In the fifth Nd site, Nd is bonded in a distorted body-centered cubic geometry to eight equivalent In atoms. All Nd–In bond lengths are 3.32 Å. Pd is bonded in a 8-coordinate geometry to six Nd and two In atoms. There are one shorter (3.15 Å) and one longer (3.22 Å) Pd–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to eight Nd, one Pd, and one In atom. The In–In bond length is 3.29 Å. In the second In site, In is bonded in a 10-coordinate geometry to eight Nd, one Pd, and one In atom. The In–In bond length is 3.20 Å. In the third In site, In is bonded in a square co-planar geometry to four Nd atoms.