Materials Data on Lu3Tl5 by Materials Project

Abstract

Lu3Tl5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 9-coordinate geometry to nine Tl atoms. There are a spread of Lu–Tl bond distances ranging from 3.08–3.41 Å. In the second Lu site, Lu is bonded in a 10-coordinate geometry to ten Tl atoms. There are a spread of Lu–Tl bond distances ranging from 3.19–3.49 Å. There are three inequivalent Tl sites. In the first Tl site, Tl is bonded in a 1-coordinate geometry to five Lu and six Tl atoms. There are two shorter (3.22 Å) and four longer (3.25 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a 6-coordinate geometry to six Lu and four Tl atoms. There are two shorter (3.24 Å) and one longer (3.31 Å) Tl–Tl bond lengths. In the third Tl site, Tl is bonded in a 10-coordinate geometry to six Lu and four Tl atoms.