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Title: Materials Data on KVCu3Se4 by Materials Project

Abstract

KVCu3Se4 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 VSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All K–Se bond lengths are 2.94 Å. V4+ is bonded to four equivalent Se2- atoms to form VSe4 tetrahedra that share corners with four equivalent KSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All V–Se bond lengths are 2.33 Å. Cu1+ 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 VSe4 tetrahedra. All Cu–Se bond lengths are 2.55 Å. Se2- is bonded to one K1+, one V4+, and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeKVCu3 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-1180689
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; KVCu3Se4; Cu-K-Se-V
OSTI Identifier:
1667208
DOI:
https://doi.org/10.17188/1667208

Citation Formats

The Materials Project. Materials Data on KVCu3Se4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1667208.
The Materials Project. Materials Data on KVCu3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1667208
The Materials Project. 2019. "Materials Data on KVCu3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1667208. https://www.osti.gov/servlets/purl/1667208. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1667208,
title = {Materials Data on KVCu3Se4 by Materials Project},
author = {The Materials Project},
abstractNote = {KVCu3Se4 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 VSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All K–Se bond lengths are 2.94 Å. V4+ is bonded to four equivalent Se2- atoms to form VSe4 tetrahedra that share corners with four equivalent KSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All V–Se bond lengths are 2.33 Å. Cu1+ 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 VSe4 tetrahedra. All Cu–Se bond lengths are 2.55 Å. Se2- is bonded to one K1+, one V4+, and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeKVCu3 trigonal bipyramids.},
doi = {10.17188/1667208},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}