Materials Data on TcOF4 by Materials Project

Abstract

TcOF4 crystallizes in the hexagonal P6_3/m space group. The structure is zero-dimensional and consists of six TcOF4 clusters. Tc6+ is bonded in a 5-coordinate geometry to one O2- and four F1- atoms. The Tc–O bond length is 1.65 Å. There are a spread of Tc–F bond distances ranging from 1.86–1.92 Å. O2- is bonded in a single-bond geometry to one Tc6+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Tc6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Tc6+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Tc6+ atom.