Materials Data on GeClO2F5 by Materials Project

Abstract

GeF5ClO2 crystallizes in the orthorhombic C222_1 space group. The structure is one-dimensional and consists of eight hypochlorous acid;hydrate molecules and two GeF5 ribbons oriented in the (0, 0, 1) direction. In each GeF5 ribbon, Ge is bonded to six F atoms to form corner-sharing GeF6 octahedra. The corner-sharing octahedra tilt angles range from 30–39°. There are a spread of Ge–F bond distances ranging from 1.76–1.95 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Ge atom. In the second F site, F is bonded in a single-bond geometry to one Ge atom. In the third F site, F is bonded in a bent 150 degrees geometry to two equivalent Ge atoms. In the fourth F site, F is bonded in a single-bond geometry to one Ge atom. In the fifth F site, F is bonded in a single-bond geometry to one Ge atom. In the sixth F site, F is bonded in a bent 150 degrees geometry to two equivalent Ge atoms.