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Title: Materials Data on Tl4SnS4 by Materials Project

Abstract

Tl4SnS4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 3.09–3.71 Å. In the second Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Tl–S bond distances ranging from 3.03–3.60 Å. In the third Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Tl–S bond distances ranging from 3.08–3.71 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to four S2- atoms. There are a spread of Tl–S bond distances ranging from 3.07–3.56 Å. Sn4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.42–2.44 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Tl1+ and one Sn4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Tl1+ and one Sn4+ atom. In the thirdmore » S2- site, S2- is bonded in a 1-coordinate geometry to six Tl1+ and one Sn4+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to six Tl1+ and one Sn4+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-5818
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Tl4SnS4; S-Sn-Tl
OSTI Identifier:
1276897
DOI:
https://doi.org/10.17188/1276897

Citation Formats

The Materials Project. Materials Data on Tl4SnS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276897.
The Materials Project. Materials Data on Tl4SnS4 by Materials Project. United States. doi:https://doi.org/10.17188/1276897
The Materials Project. 2020. "Materials Data on Tl4SnS4 by Materials Project". United States. doi:https://doi.org/10.17188/1276897. https://www.osti.gov/servlets/purl/1276897. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1276897,
title = {Materials Data on Tl4SnS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Tl4SnS4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Tl–S bond distances ranging from 3.09–3.71 Å. In the second Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Tl–S bond distances ranging from 3.03–3.60 Å. In the third Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Tl–S bond distances ranging from 3.08–3.71 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to four S2- atoms. There are a spread of Tl–S bond distances ranging from 3.07–3.56 Å. Sn4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Sn–S bond distances ranging from 2.42–2.44 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Tl1+ and one Sn4+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four Tl1+ and one Sn4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to six Tl1+ and one Sn4+ atom. In the fourth S2- site, S2- is bonded in a 1-coordinate geometry to six Tl1+ and one Sn4+ atom.},
doi = {10.17188/1276897},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}