Materials Data on Ag4TeO5 by Materials Project

Abstract

Ag4TeO5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are five inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.52–2.78 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.23–2.94 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to five O2- atoms. There are a spread of Ag–O bond distances ranging from 2.21–3.00 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.44–2.77 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Ag–O bond distances ranging from 2.35–2.75 Å. Te6+ is bonded to six O2- atoms to form edge-sharing TeO6 octahedra. There are a spread of Te–O bond distances ranging from 1.93–2.08 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Ag1+ and two equivalent Te6+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to five Ag1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to five Ag1+ and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to five Ag1+ and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to five Ag1+ and one Te6+ atom.