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Title: Materials Data on CsSnS3 by Materials Project

Abstract

CsSnS3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S+1.67- atoms. There are a spread of Cs–S bond distances ranging from 3.56–4.15 Å. Sn4+ is bonded to five S+1.67- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.63 Å. There are three inequivalent S+1.67- sites. In the first S+1.67- site, S+1.67- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Sn4+, and one S+1.67- atom. The S–S bond length is 2.10 Å. In the second S+1.67- site, S+1.67- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent Sn4+ atoms. In the third S+1.67- site, S+1.67- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two equivalent Sn4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-561710
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; CsSnS3; Cs-S-Sn
OSTI Identifier:
1272214
DOI:
https://doi.org/10.17188/1272214

Citation Formats

The Materials Project. Materials Data on CsSnS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272214.
The Materials Project. Materials Data on CsSnS3 by Materials Project. United States. doi:https://doi.org/10.17188/1272214
The Materials Project. 2020. "Materials Data on CsSnS3 by Materials Project". United States. doi:https://doi.org/10.17188/1272214. https://www.osti.gov/servlets/purl/1272214. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1272214,
title = {Materials Data on CsSnS3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsSnS3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight S+1.67- atoms. There are a spread of Cs–S bond distances ranging from 3.56–4.15 Å. Sn4+ is bonded to five S+1.67- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.63 Å. There are three inequivalent S+1.67- sites. In the first S+1.67- site, S+1.67- is bonded in a 1-coordinate geometry to three equivalent Cs1+, one Sn4+, and one S+1.67- atom. The S–S bond length is 2.10 Å. In the second S+1.67- site, S+1.67- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent Sn4+ atoms. In the third S+1.67- site, S+1.67- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and two equivalent Sn4+ atoms.},
doi = {10.17188/1272214},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}