Materials Data on Tl by Materials Project

Abstract

Tl is alpha structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional and consists of two thallium molecules and one Tl framework. In the Tl framework, there are three inequivalent Tl sites. In the first Tl site, Tl is bonded in a trigonal non-coplanar geometry to three equivalent Tl atoms. All Tl–Tl bond lengths are 3.46 Å. In the second Tl site, Tl is bonded in a 12-coordinate geometry to four Tl atoms. There are one shorter (3.29 Å) and two longer (3.47 Å) Tl–Tl bond lengths. In the third Tl site, Tl is bonded in a 6-coordinate geometry to six Tl atoms. There are one shorter (3.18 Å) and two longer (3.31 Å) Tl–Tl bond lengths.