Materials Data on W2O5 by Materials Project

Abstract

W2O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent W5+ sites. In the first W5+ site, W5+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of W–O bond distances ranging from 1.92–1.98 Å. In the second W5+ site, W5+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 1.89–1.91 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two W5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two W5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two W5+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two W5+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two equivalent W5+ atoms.