Materials Data on Th3In5 by Materials Project

Abstract

Th3In5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Th–In bond distances ranging from 3.19–3.61 Å. In the second Th site, Th is bonded in a 10-coordinate geometry to ten In atoms. There are a spread of Th–In bond distances ranging from 3.29–3.53 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to five Th and four In atoms. There are two shorter (3.10 Å) and two longer (3.20 Å) In–In bond lengths. In the second In site, In is bonded in a 10-coordinate geometry to six Th and four In atoms. There are two shorter (3.01 Å) and one longer (3.36 Å) In–In bond lengths. In the third In site, In is bonded in a 9-coordinate geometry to six Th and three In atoms.