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Title: Materials Data on TaCuN2 by Materials Project

Abstract

CuTaN2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent N3- atoms to form edge-sharing TaN6 octahedra. All Ta–N bond lengths are 2.11 Å. Cu1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.86 Å. N3- is bonded to three equivalent Ta5+ and one Cu1+ atom to form a mixture of distorted corner and edge-sharing NTa3Cu tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-8927
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; TaCuN2; Cu-N-Ta
OSTI Identifier:
1312834
DOI:
10.17188/1312834

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TaCuN2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1312834.
Persson, Kristin, & Project, Materials. Materials Data on TaCuN2 by Materials Project. United States. doi:10.17188/1312834.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on TaCuN2 by Materials Project". United States. doi:10.17188/1312834. https://www.osti.gov/servlets/purl/1312834. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1312834,
title = {Materials Data on TaCuN2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CuTaN2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent N3- atoms to form edge-sharing TaN6 octahedra. All Ta–N bond lengths are 2.11 Å. Cu1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.86 Å. N3- is bonded to three equivalent Ta5+ and one Cu1+ atom to form a mixture of distorted corner and edge-sharing NTa3Cu tetrahedra.},
doi = {10.17188/1312834},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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