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Title: Materials Data on Cs2WS4 by Materials Project

Abstract

Cs2WS4 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 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.75–4.10 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Cs–S bond distances ranging from 3.51–3.80 Å. W6+ is bonded in a tetrahedral geometry to four S2- atoms. All W–S bond lengths are 2.21 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four Cs1+ and one W6+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to five Cs1+ and one W6+ atom. In the third S2- site, S2- is bonded to four Cs1+ and one W6+ atom to form distorted corner-sharing SCs4W square pyramids.

Authors:
Publication Date:
Other Number(s):
mp-17361
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; Cs2WS4; Cs-S-W
OSTI Identifier:
1192465
DOI:
https://doi.org/10.17188/1192465

Citation Formats

The Materials Project. Materials Data on Cs2WS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192465.
The Materials Project. Materials Data on Cs2WS4 by Materials Project. United States. doi:https://doi.org/10.17188/1192465
The Materials Project. 2020. "Materials Data on Cs2WS4 by Materials Project". United States. doi:https://doi.org/10.17188/1192465. https://www.osti.gov/servlets/purl/1192465. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1192465,
title = {Materials Data on Cs2WS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2WS4 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 8-coordinate geometry to eight S2- atoms. There are a spread of Cs–S bond distances ranging from 3.75–4.10 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Cs–S bond distances ranging from 3.51–3.80 Å. W6+ is bonded in a tetrahedral geometry to four S2- atoms. All W–S bond lengths are 2.21 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four Cs1+ and one W6+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to five Cs1+ and one W6+ atom. In the third S2- site, S2- is bonded to four Cs1+ and one W6+ atom to form distorted corner-sharing SCs4W square pyramids.},
doi = {10.17188/1192465},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}