Materials Data on Tb5Tl3 by Materials Project

Abstract

Tb5Tl3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six Tl atoms to form distorted corner-sharing TbTl6 octahedra. The corner-sharing octahedra tilt angles range from 0–50°. There are four shorter (3.16 Å) and two longer (3.64 Å) Tb–Tl bond lengths. In the second Tb site, Tb is bonded in a 5-coordinate geometry to five Tl atoms. There are a spread of Tb–Tl bond distances ranging from 3.21–3.36 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 10-coordinate geometry to ten Tb atoms. In the second Tl site, Tl is bonded in a 9-coordinate geometry to eight Tb and one Tl atom. The Tl–Tl bond length is 3.06 Å.