Materials Data on V4Ag2O11 by Materials Project

Abstract

Ag2V4O11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.67–2.51 Å. In the second V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.64–2.31 Å. Ag1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.31–2.45 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two equivalent Ag1+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two V5+ and two equivalent Ag1+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+ and one Ag1+ atom. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three V5+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to four V5+ atoms.