Materials Data on Th3Tl5 by Materials Project

Abstract

Th3Tl5 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 Tl atoms. There are a spread of Th–Tl bond distances ranging from 3.18–3.67 Å. In the second Th site, Th is bonded in a 10-coordinate geometry to ten Tl atoms. There are a spread of Th–Tl bond distances ranging from 3.30–3.55 Å. There are three inequivalent Tl sites. In the first Tl site, Tl is bonded in a 5-coordinate geometry to five Th and six Tl atoms. There are four shorter (3.28 Å) and two longer (3.49 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a 1-coordinate geometry to six Th and four Tl atoms. There are two shorter (3.17 Å) and one longer (3.52 Å) Tl–Tl bond lengths. In the third Tl site, Tl is bonded in a 10-coordinate geometry to six Th and four Tl atoms.