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Title: Materials Data on KCoCuS2 by Materials Project

Abstract

KCoCuS2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All K–S bond lengths are 3.32 Å. Co2+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with four equivalent CoS4 tetrahedra and edges with four equivalent CuS4 tetrahedra. All Co–S bond lengths are 2.32 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and edges with four equivalent CoS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. S2- is bonded in a 8-coordinate geometry to four equivalent K1+, two equivalent Co2+, and two equivalent Cu1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1223456
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; KCoCuS2; Co-Cu-K-S
OSTI Identifier:
1740995
DOI:
https://doi.org/10.17188/1740995

Citation Formats

The Materials Project. Materials Data on KCoCuS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740995.
The Materials Project. Materials Data on KCoCuS2 by Materials Project. United States. doi:https://doi.org/10.17188/1740995
The Materials Project. 2020. "Materials Data on KCoCuS2 by Materials Project". United States. doi:https://doi.org/10.17188/1740995. https://www.osti.gov/servlets/purl/1740995. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1740995,
title = {Materials Data on KCoCuS2 by Materials Project},
author = {The Materials Project},
abstractNote = {KCoCuS2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All K–S bond lengths are 3.32 Å. Co2+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with four equivalent CoS4 tetrahedra and edges with four equivalent CuS4 tetrahedra. All Co–S bond lengths are 2.32 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and edges with four equivalent CoS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. S2- is bonded in a 8-coordinate geometry to four equivalent K1+, two equivalent Co2+, and two equivalent Cu1+ atoms.},
doi = {10.17188/1740995},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}