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Title: Materials Data on Cs2S by Materials Project

Abstract

Cs2S is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three equivalent S2- atoms. There are one shorter (3.51 Å) and two longer (3.68 Å) Cs–S bond lengths. In the second Cs1+ site, Cs1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CsS4 tetrahedra. There are a spread of Cs–S bond distances ranging from 3.47–3.56 Å. S2- is bonded in a 9-coordinate geometry to seven Cs1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-540703
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; Cs2S; Cs-S
OSTI Identifier:
1264736
DOI:
https://doi.org/10.17188/1264736

Citation Formats

The Materials Project. Materials Data on Cs2S by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1264736.
The Materials Project. Materials Data on Cs2S by Materials Project. United States. doi:https://doi.org/10.17188/1264736
The Materials Project. 2020. "Materials Data on Cs2S by Materials Project". United States. doi:https://doi.org/10.17188/1264736. https://www.osti.gov/servlets/purl/1264736. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1264736,
title = {Materials Data on Cs2S by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2S is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 3-coordinate geometry to three equivalent S2- atoms. There are one shorter (3.51 Å) and two longer (3.68 Å) Cs–S bond lengths. In the second Cs1+ site, Cs1+ is bonded to four equivalent S2- atoms to form a mixture of edge and corner-sharing CsS4 tetrahedra. There are a spread of Cs–S bond distances ranging from 3.47–3.56 Å. S2- is bonded in a 9-coordinate geometry to seven Cs1+ atoms.},
doi = {10.17188/1264736},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}