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Title: Materials Data on Tl2SnS3 by Materials Project

Abstract

Tl2SnS3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.18–3.89 Å. In the second Tl1+ site, Tl1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.31–3.52 Å. Sn4+ is bonded to four S2- atoms to form corner-sharing SnS4 tetrahedra. There are two shorter (2.39 Å) and two longer (2.49 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to six Tl1+ and one Sn4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to six Tl1+ and one Sn4+ atom. In the third S2- site, S2- is bonded in a distorted water-like geometry to three equivalent Tl1+ and two equivalent Sn4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-542623
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; Tl2SnS3; S-Sn-Tl
OSTI Identifier:
1266605
DOI:
10.17188/1266605

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Tl2SnS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266605.
Persson, Kristin, & Project, Materials. Materials Data on Tl2SnS3 by Materials Project. United States. doi:10.17188/1266605.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Tl2SnS3 by Materials Project". United States. doi:10.17188/1266605. https://www.osti.gov/servlets/purl/1266605. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1266605,
title = {Materials Data on Tl2SnS3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Tl2SnS3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Tl–S bond distances ranging from 3.18–3.89 Å. In the second Tl1+ site, Tl1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are a spread of Tl–S bond distances ranging from 3.31–3.52 Å. Sn4+ is bonded to four S2- atoms to form corner-sharing SnS4 tetrahedra. There are two shorter (2.39 Å) and two longer (2.49 Å) Sn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to six Tl1+ and one Sn4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to six Tl1+ and one Sn4+ atom. In the third S2- site, S2- is bonded in a distorted water-like geometry to three equivalent Tl1+ and two equivalent Sn4+ atoms.},
doi = {10.17188/1266605},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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