Title: Materials Data on CuNi3N by Materials Project

Abstract

CuNNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a linear geometry to four equivalent Cu and two equivalent N atoms. All Ni–Cu bond lengths are 2.64 Å. Both Ni–N bond lengths are 1.86 Å. Cu is bonded to twelve equivalent Ni atoms to form CuNi12 cuboctahedra that share corners with twelve equivalent CuNi12 cuboctahedra, faces with six equivalent CuNi12 cuboctahedra, and faces with eight equivalent NNi6 octahedra. N is bonded to six equivalent Ni atoms to form NNi6 octahedra that share corners with six equivalent NNi6 octahedra and faces with eight equivalent CuNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1017556
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; Cu-N-Ni; CuNi3N
OSTI Identifier:
1349818
DOI:
https://doi.org/10.17188/1349818

Citation Formats

Materials Data on CuNi3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1349818.
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Materials Data on CuNi3N by Materials Project. United States. doi:https://doi.org/10.17188/1349818
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2020. "Materials Data on CuNi3N by Materials Project". United States. doi:https://doi.org/10.17188/1349818. https://www.osti.gov/servlets/purl/1349818. Pub date:Fri Jul 17 20:00:00 EDT 2020
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@article{osti_1349818,
title = {Materials Data on CuNi3N by Materials Project},
abstractNote = {CuNNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a linear geometry to four equivalent Cu and two equivalent N atoms. All Ni–Cu bond lengths are 2.64 Å. Both Ni–N bond lengths are 1.86 Å. Cu is bonded to twelve equivalent Ni atoms to form CuNi12 cuboctahedra that share corners with twelve equivalent CuNi12 cuboctahedra, faces with six equivalent CuNi12 cuboctahedra, and faces with eight equivalent NNi6 octahedra. N is bonded to six equivalent Ni atoms to form NNi6 octahedra that share corners with six equivalent NNi6 octahedra and faces with eight equivalent CuNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1349818},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1349818
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