Materials Data on TaF5 by Materials Project

Abstract

TaF5 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one tetrafluorotantalum molecule and one TaF6 cluster. In the TaF6 cluster, Ta5+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Ta–F bond distances ranging from 2.08–2.30 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ta5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Ta5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Ta5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Ta5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Ta5+ atom.