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Title: Materials Data on NbCu3Se4 by Materials Project

Abstract

Cu3NbSe4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Nb5+ is bonded to four equivalent Se2- atoms to form NbSe4 tetrahedra that share edges with six equivalent CuSe4 tetrahedra. All Nb–Se bond lengths are 2.47 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with eight equivalent CuSe4 tetrahedra and edges with two equivalent NbSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Se2- is bonded to one Nb5+ and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeNbCu3 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4043
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; NbCu3Se4; Cu-Nb-Se
OSTI Identifier:
1207789
DOI:
10.17188/1207789

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NbCu3Se4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207789.
Persson, Kristin, & Project, Materials. Materials Data on NbCu3Se4 by Materials Project. United States. doi:10.17188/1207789.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NbCu3Se4 by Materials Project". United States. doi:10.17188/1207789. https://www.osti.gov/servlets/purl/1207789. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207789,
title = {Materials Data on NbCu3Se4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cu3NbSe4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Nb5+ is bonded to four equivalent Se2- atoms to form NbSe4 tetrahedra that share edges with six equivalent CuSe4 tetrahedra. All Nb–Se bond lengths are 2.47 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with eight equivalent CuSe4 tetrahedra and edges with two equivalent NbSe4 tetrahedra. All Cu–Se bond lengths are 2.47 Å. Se2- is bonded to one Nb5+ and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeNbCu3 tetrahedra.},
doi = {10.17188/1207789},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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