DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on KCoCu3Se4 by Materials Project

Abstract

KCoCu3Se4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. K1+ is bonded to four equivalent Se2- atoms to form KSe4 tetrahedra that share corners with four equivalent CoSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All K–Se bond lengths are 2.96 Å. Co2+ is bonded to four equivalent Se2- atoms to form CoSe4 tetrahedra that share corners with four equivalent KSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Co–Se bond lengths are 2.26 Å. Cu+1.67+ is bonded to four equivalent Se2- atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent KSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent CoSe4 tetrahedra. All Cu–Se bond lengths are 2.51 Å. Se2- is bonded to one K1+, one Co2+, and three equivalent Cu+1.67+ atoms to form a mixture of distorted edge and corner-sharing SeKCoCu3 trigonal bipyramids.

Authors:
Publication Date:
Other Number(s):
mp-1180804
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; KCoCu3Se4; Co-Cu-K-Se
OSTI Identifier:
1731941
DOI:
https://doi.org/10.17188/1731941

Citation Formats

The Materials Project. Materials Data on KCoCu3Se4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1731941.
The Materials Project. Materials Data on KCoCu3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1731941
The Materials Project. 2019. "Materials Data on KCoCu3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1731941. https://www.osti.gov/servlets/purl/1731941. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1731941,
title = {Materials Data on KCoCu3Se4 by Materials Project},
author = {The Materials Project},
abstractNote = {KCoCu3Se4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. K1+ is bonded to four equivalent Se2- atoms to form KSe4 tetrahedra that share corners with four equivalent CoSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All K–Se bond lengths are 2.96 Å. Co2+ is bonded to four equivalent Se2- atoms to form CoSe4 tetrahedra that share corners with four equivalent KSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Co–Se bond lengths are 2.26 Å. Cu+1.67+ is bonded to four equivalent Se2- atoms to form distorted CuSe4 tetrahedra that share corners with four equivalent KSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent CoSe4 tetrahedra. All Cu–Se bond lengths are 2.51 Å. Se2- is bonded to one K1+, one Co2+, and three equivalent Cu+1.67+ atoms to form a mixture of distorted edge and corner-sharing SeKCoCu3 trigonal bipyramids.},
doi = {10.17188/1731941},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}