Materials Data on BrF5 by Materials Project

Abstract

BrF5 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four BrF5 clusters. Br5+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Br–F bond distances ranging from 1.75–1.86 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Br5+ atom.