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Title: Materials Data on Tl2TeS3 by Materials Project

Abstract

Tl2TeS3 is Krennerite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing TlS6 octahedra. The corner-sharing octahedra tilt angles range from 18–27°. There are a spread of Tl–S bond distances ranging from 3.10–3.38 Å. Te4+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.40 Å) and one longer (2.41 Å) Te–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Tl1+ and one Te4+ atom to form distorted edge-sharing STl4Te square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Te4+ atom.

Publication Date:
Other Number(s):
mp-17172
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Tl2TeS3; S-Te-Tl
OSTI Identifier:
1192372
DOI:
https://doi.org/10.17188/1192372

Citation Formats

The Materials Project. Materials Data on Tl2TeS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192372.
The Materials Project. Materials Data on Tl2TeS3 by Materials Project. United States. doi:https://doi.org/10.17188/1192372
The Materials Project. 2020. "Materials Data on Tl2TeS3 by Materials Project". United States. doi:https://doi.org/10.17188/1192372. https://www.osti.gov/servlets/purl/1192372. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1192372,
title = {Materials Data on Tl2TeS3 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl2TeS3 is Krennerite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tl1+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing TlS6 octahedra. The corner-sharing octahedra tilt angles range from 18–27°. There are a spread of Tl–S bond distances ranging from 3.10–3.38 Å. Te4+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are two shorter (2.40 Å) and one longer (2.41 Å) Te–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Tl1+ and one Te4+ atom to form distorted edge-sharing STl4Te square pyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent Tl1+ and one Te4+ atom.},
doi = {10.17188/1192372},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}