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Title: Materials Data on TlS by Materials Project

Abstract

TlS is I4/mcm structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to eight equivalent S1- atoms. All Tl–S bond lengths are 3.43 Å. In the second Tl1+ site, Tl1+ is bonded to four equivalent S1- atoms to form distorted edge-sharing TlS4 tetrahedra. All Tl–S bond lengths are 2.60 Å. S1- is bonded in a distorted L-shaped geometry to six Tl1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-322
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; TlS; S-Tl
OSTI Identifier:
1206131
DOI:
10.17188/1206131

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TlS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206131.
Persson, Kristin, & Project, Materials. Materials Data on TlS by Materials Project. United States. doi:10.17188/1206131.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TlS by Materials Project". United States. doi:10.17188/1206131. https://www.osti.gov/servlets/purl/1206131. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1206131,
title = {Materials Data on TlS by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TlS is I4/mcm structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 10-coordinate geometry to eight equivalent S1- atoms. All Tl–S bond lengths are 3.43 Å. In the second Tl1+ site, Tl1+ is bonded to four equivalent S1- atoms to form distorted edge-sharing TlS4 tetrahedra. All Tl–S bond lengths are 2.60 Å. S1- is bonded in a distorted L-shaped geometry to six Tl1+ atoms.},
doi = {10.17188/1206131},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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