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Title: Materials Data on TlAg3S2 by Materials Project

Abstract

Ag3TlS2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.43 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two equivalent Tl1+ and three equivalent S2- atoms. There are one shorter (3.35 Å) and one longer (3.37 Å) Ag–Tl bond lengths. There are two shorter (2.53 Å) and one longer (2.69 Å) Ag–S bond lengths. Tl1+ is bonded in a 2-coordinate geometry to four equivalent Ag1+ and four equivalent S2- atoms. There are two shorter (3.09 Å) and two longer (3.43 Å) Tl–S bond lengths. S2- is bonded in a 4-coordinate geometry to four Ag1+ and two equivalent Tl1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4762
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; TlAg3S2; Ag-S-Tl
OSTI Identifier:
1208385
DOI:
10.17188/1208385

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TlAg3S2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208385.
Persson, Kristin, & Project, Materials. Materials Data on TlAg3S2 by Materials Project. United States. doi:10.17188/1208385.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TlAg3S2 by Materials Project". United States. doi:10.17188/1208385. https://www.osti.gov/servlets/purl/1208385. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1208385,
title = {Materials Data on TlAg3S2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ag3TlS2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.43 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two equivalent Tl1+ and three equivalent S2- atoms. There are one shorter (3.35 Å) and one longer (3.37 Å) Ag–Tl bond lengths. There are two shorter (2.53 Å) and one longer (2.69 Å) Ag–S bond lengths. Tl1+ is bonded in a 2-coordinate geometry to four equivalent Ag1+ and four equivalent S2- atoms. There are two shorter (3.09 Å) and two longer (3.43 Å) Tl–S bond lengths. S2- is bonded in a 4-coordinate geometry to four Ag1+ and two equivalent Tl1+ atoms.},
doi = {10.17188/1208385},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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