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Title: Materials Data on CuN3 by Materials Project

Abstract

CuN3 crystallizes in the tetragonal I4_1/a space group. The structure is one-dimensional and consists of eight CuN3 ribbons oriented in the (0, 0, 1) direction. Cu1+ is bonded in a linear geometry to two equivalent N+0.33- atoms. Both Cu–N bond lengths are 1.84 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms. Both N–N bond lengths are 1.18 Å. In the second N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to one Cu1+ and one N+0.33- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-504768
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; CuN3; Cu-N
OSTI Identifier:
1262042
DOI:
10.17188/1262042

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CuN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262042.
Persson, Kristin, & Project, Materials. Materials Data on CuN3 by Materials Project. United States. doi:10.17188/1262042.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CuN3 by Materials Project". United States. doi:10.17188/1262042. https://www.osti.gov/servlets/purl/1262042. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1262042,
title = {Materials Data on CuN3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CuN3 crystallizes in the tetragonal I4_1/a space group. The structure is one-dimensional and consists of eight CuN3 ribbons oriented in the (0, 0, 1) direction. Cu1+ is bonded in a linear geometry to two equivalent N+0.33- atoms. Both Cu–N bond lengths are 1.84 Å. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms. Both N–N bond lengths are 1.18 Å. In the second N+0.33- site, N+0.33- is bonded in a 1-coordinate geometry to one Cu1+ and one N+0.33- atom.},
doi = {10.17188/1262042},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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