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Title: Materials Data on TlS by Materials Project

Abstract

TlS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded to six equivalent S1- atoms to form a mixture of corner and edge-sharing TlS6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Tl–S bond lengths are 2.78 Å. In the second Tl1+ site, Tl1+ is bonded to six equivalent S1- atoms to form a mixture of corner and edge-sharing TlS6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Tl–S bond lengths are 3.17 Å. S1- is bonded to six Tl1+ atoms to form a mixture of corner and edge-sharing STl6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-998912
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:
1317420
DOI:
10.17188/1317420

Citation Formats

The Materials Project. Materials Data on TlS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317420.
The Materials Project. Materials Data on TlS by Materials Project. United States. doi:10.17188/1317420.
The Materials Project. 2020. "Materials Data on TlS by Materials Project". United States. doi:10.17188/1317420. https://www.osti.gov/servlets/purl/1317420. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1317420,
title = {Materials Data on TlS by Materials Project},
author = {The Materials Project},
abstractNote = {TlS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded to six equivalent S1- atoms to form a mixture of corner and edge-sharing TlS6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Tl–S bond lengths are 2.78 Å. In the second Tl1+ site, Tl1+ is bonded to six equivalent S1- atoms to form a mixture of corner and edge-sharing TlS6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Tl–S bond lengths are 3.17 Å. S1- is bonded to six Tl1+ atoms to form a mixture of corner and edge-sharing STl6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1317420},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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