Materials Data on Ag2TeO3 by Materials Project

Abstract

Ag2TeO3 is Krennerite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two 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 2.36–2.97 Å. In the second Ag1+ site, Ag1+ is bonded to five O2- atoms to form distorted corner-sharing AgO5 square pyramids. There are a spread of Ag–O bond distances ranging from 2.37–2.71 Å. Te4+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.91–3.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Ag1+ and one Te4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four Ag1+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to four Ag1+ and two equivalent Te4+ atoms.