Materials Data on Rb2V2O5 by Materials Project

Abstract

Rb2V2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.25 Å. There are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There is two shorter (1.74 Å) and two longer (2.09 Å) V–O bond length. In the second V4+ site, V4+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.78–1.89 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one V4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three equivalent Rb1+ and two V4+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent V4+ atoms.