Materials Data on TePbF6 by Materials Project

Abstract

PbTeF6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pb2+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Pb–F bond distances ranging from 2.39–3.04 Å. Te4+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.91–2.07 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one Te4+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Pb2+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Pb2+ atoms. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one Te4+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one Te4+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Pb2+ and one Te4+ atom.