Materials Data on Tb3In5 by Materials Project

Abstract

Tb3In5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Tb–In bond distances ranging from 3.10–3.53 Å. In the second Tb site, Tb is bonded in a 10-coordinate geometry to ten In atoms. There are a spread of Tb–In bond distances ranging from 3.21–3.49 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to five Tb and six In atoms. There are a spread of In–In bond distances ranging from 3.12–3.37 Å. In the second In site, In is bonded in a 6-coordinate geometry to six Tb and four In atoms. There are two shorter (3.04 Å) and one longer (3.22 Å) In–In bond lengths. In the third In site, In is bonded in a 10-coordinate geometry to six Tb and four In atoms.