Materials Data on Cr2O5 by Materials Project

Abstract

Cr2O5 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Cr5+ sites. In the first Cr5+ site, Cr5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cr–O bond distances ranging from 1.66–2.16 Å. In the second Cr5+ site, Cr5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cr–O bond distances ranging from 1.66–2.15 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Cr5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Cr5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Cr5+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Cr5+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two Cr5+ atoms.