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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-29163
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ag2TeS3; Ag-S-Te
OSTI Identifier:
1203453
DOI:
https://doi.org/10.17188/1203453

Citation Formats

The Materials Project. Materials Data on Ag2TeS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203453.
The Materials Project. Materials Data on Ag2TeS3 by Materials Project. United States. doi:https://doi.org/10.17188/1203453
The Materials Project. 2020. "Materials Data on Ag2TeS3 by Materials Project". United States. doi:https://doi.org/10.17188/1203453. https://www.osti.gov/servlets/purl/1203453. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203453,
title = {Materials Data on Ag2TeS3 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1203453},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}