Materials Data on IOF3 by Materials Project

Abstract

OIF3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of four OIF3 clusters. O2- is bonded in a distorted single-bond geometry to one I5+ atom. The O–I bond length is 1.77 Å. I5+ is bonded in a 4-coordinate geometry to one O2- and three F1- atoms. There are a spread of I–F bond distances ranging from 1.89–1.98 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one I5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one I5+ atom.