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Title: Materials Data on K2WS4 by Materials Project

Abstract

K2WS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of K–S bond distances ranging from 3.26–3.84 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of K–S bond distances ranging from 3.19–3.60 Å. W6+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of W–S bond distances ranging from 2.19–2.21 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three K1+ and one W6+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four K1+ and one W6+ atom. In the third S2- site, S2- is bonded to four K1+ and one W6+ atom to form distorted corner-sharing SK4W square pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1211879
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; K2WS4; K-S-W
OSTI Identifier:
1711950
DOI:
https://doi.org/10.17188/1711950

Citation Formats

The Materials Project. Materials Data on K2WS4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1711950.
The Materials Project. Materials Data on K2WS4 by Materials Project. United States. doi:https://doi.org/10.17188/1711950
The Materials Project. 2019. "Materials Data on K2WS4 by Materials Project". United States. doi:https://doi.org/10.17188/1711950. https://www.osti.gov/servlets/purl/1711950. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1711950,
title = {Materials Data on K2WS4 by Materials Project},
author = {The Materials Project},
abstractNote = {K2WS4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of K–S bond distances ranging from 3.26–3.84 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of K–S bond distances ranging from 3.19–3.60 Å. W6+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of W–S bond distances ranging from 2.19–2.21 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three K1+ and one W6+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four K1+ and one W6+ atom. In the third S2- site, S2- is bonded to four K1+ and one W6+ atom to form distorted corner-sharing SK4W square pyramids.},
doi = {10.17188/1711950},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}