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Title: Materials Data on K6ZnS4 by Materials Project

Abstract

K6ZnS4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are three shorter (3.15 Å) and one longer (3.20 Å) K–S bond lengths. 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 3.22–3.39 Å. Zn2+ is bonded in a tetrahedral geometry to four S2- atoms. All Zn–S bond lengths are 2.44 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and one Zn2+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to seven K1+ and one Zn2+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1147618
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; K6ZnS4; K-S-Zn
OSTI Identifier:
1718781
DOI:
https://doi.org/10.17188/1718781

Citation Formats

The Materials Project. Materials Data on K6ZnS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718781.
The Materials Project. Materials Data on K6ZnS4 by Materials Project. United States. doi:https://doi.org/10.17188/1718781
The Materials Project. 2020. "Materials Data on K6ZnS4 by Materials Project". United States. doi:https://doi.org/10.17188/1718781. https://www.osti.gov/servlets/purl/1718781. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1718781,
title = {Materials Data on K6ZnS4 by Materials Project},
author = {The Materials Project},
abstractNote = {K6ZnS4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are three shorter (3.15 Å) and one longer (3.20 Å) K–S bond lengths. 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 3.22–3.39 Å. Zn2+ is bonded in a tetrahedral geometry to four S2- atoms. All Zn–S bond lengths are 2.44 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to six K1+ and one Zn2+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to seven K1+ and one Zn2+ atom.},
doi = {10.17188/1718781},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}