Materials Data on Ag2TeS3 by Materials Project

Abstract

Ag2TeS3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.56–2.82 Å. In the second Ag1+ site, Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with two equivalent AgS4 tetrahedra and corners with five equivalent TeS4 trigonal pyramids. There are a spread of Ag–S bond distances ranging from 2.54–2.71 Å. Te4+ is bonded to four S2- atoms to form distorted TeS4 trigonal pyramids that share corners with five equivalent AgS4 tetrahedra and corners with two equivalent TeS4 trigonal pyramids. There are a spread of Te–S bond distances ranging from 2.38–3.18 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three Ag1+ and one Te4+ atom to form corner-sharing SAg3Te tetrahedra. In the second S2- site, S2- is bonded to two Ag1+ and two equivalent Te4+ atoms to form distorted corner-sharing SAg2Te2 tetrahedra. In the third S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Ag1+ and one Te4+ atom.