Materials Data on Re3O10 by Materials Project

Abstract

Re3O10 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Re+6.67+ sites. In the first Re+6.67+ site, Re+6.67+ is bonded to five O2- atoms to form corner-sharing ReO5 square pyramids. There are a spread of Re–O bond distances ranging from 1.88–1.90 Å. In the second Re+6.67+ site, Re+6.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Re–O bond distances ranging from 1.85–2.01 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Re+6.67+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Re+6.67+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Re+6.67+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two Re+6.67+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Re+6.67+ and one O2- atom. The O–O bond length is 1.45 Å. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Re+6.67+ and one O2- atom.