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Title: Materials Data on KMnCu3Se4 by Materials Project

Abstract

KMnCu3Se4 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 MnSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All K–Se bond lengths are 2.93 Å. Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with four equivalent KSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Mn–Se bond lengths are 2.32 Å. Cu+1.67+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent KSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent MnSe4 tetrahedra. All Cu–Se bond lengths are 2.54 Å. Se2- is bonded to one K1+, one Mn2+, and three equivalent Cu+1.67+ atoms to form a mixture of distorted corner and edge-sharing SeKMnCu3 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1180832
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KMnCu3Se4; Cu-K-Mn-Se
OSTI Identifier:
1724961
DOI:
https://doi.org/10.17188/1724961

Citation Formats

The Materials Project. Materials Data on KMnCu3Se4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1724961.
The Materials Project. Materials Data on KMnCu3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1724961
The Materials Project. 2019. "Materials Data on KMnCu3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1724961. https://www.osti.gov/servlets/purl/1724961. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1724961,
title = {Materials Data on KMnCu3Se4 by Materials Project},
author = {The Materials Project},
abstractNote = {KMnCu3Se4 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 MnSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All K–Se bond lengths are 2.93 Å. Mn2+ is bonded to four equivalent Se2- atoms to form MnSe4 tetrahedra that share corners with four equivalent KSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All Mn–Se bond lengths are 2.32 Å. Cu+1.67+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent KSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent MnSe4 tetrahedra. All Cu–Se bond lengths are 2.54 Å. Se2- is bonded to one K1+, one Mn2+, and three equivalent Cu+1.67+ atoms to form a mixture of distorted corner and edge-sharing SeKMnCu3 trigonal bipyramids.},
doi = {10.17188/1724961},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}