Materials Data on Er5Tl3 by Materials Project

Abstract

Er5Tl3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six Tl atoms. There are two shorter (3.19 Å) and four longer (3.20 Å) Er–Tl bond lengths. In the second Er site, Er is bonded in a 3-coordinate geometry to five Tl atoms. There are a spread of Er–Tl bond distances ranging from 3.12–3.66 Å. In the third Er site, Er is bonded in a 3-coordinate geometry to five Tl atoms. There are a spread of Er–Tl bond distances ranging from 3.11–3.66 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 9-coordinate geometry to nine Er atoms. In the second Tl site, Tl is bonded in a 9-coordinate geometry to nine Er atoms.