Materials Data on Nd3In5 by Materials Project

Abstract

Nd3In5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Nd–In bond distances ranging from 3.17–3.60 Å. In the second Nd site, Nd is bonded in a 10-coordinate geometry to ten In atoms. There are a spread of Nd–In bond distances ranging from 3.29–3.58 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to five Nd and six In atoms. There are a spread of In–In bond distances ranging from 3.17–3.48 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Nd and four In atoms. There are two shorter (3.06 Å) and one longer (3.35 Å) In–In bond lengths. In the third In site, In is bonded in a 3-coordinate geometry to six Nd and four In atoms.