Materials Data on Cl(OF)2 by Materials Project

Abstract

Cl(OF)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight Cl(OF)2 clusters. In four of the Cl(OF)2 clusters, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.43 Å. Cl is bonded in a tetrahedral geometry to two equivalent O and two F atoms. There is one shorter (1.84 Å) and one longer (1.85 Å) Cl–F bond length. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Cl atom. In the second F site, F is bonded in a single-bond geometry to one Cl atom. In four of the Cl(OF)2 clusters, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.42 Å. Cl is bonded in a tetrahedral geometry to two equivalent O and two equivalent F atoms. Both Cl–F bond lengths are 1.84 Å. F is bonded in a single-bond geometry to one Cl atom.