Materials Data on TlTeF5 by Materials Project

Abstract

TlTeF5 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two TlTeF5 sheets oriented in the (0, 0, 1) direction. Tl1+ is bonded in a 11-coordinate geometry to eleven F1- atoms. There are a spread of Tl–F bond distances ranging from 2.90–3.39 Å. Te4+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.93–2.03 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Tl1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to three equivalent Tl1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent Tl1+ and one Te4+ atom.