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Title: Materials Data on Cr3N2 by Materials Project

Abstract

Cr3N2 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Cr2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing CrN4 trigonal pyramids. There are a spread of Cr–N bond distances ranging from 1.94–2.00 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Cr2+ atoms to form a mixture of edge and corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second N3- site, N3- is bonded to six equivalent Cr2+ atoms to form a mixture of distorted edge and corner-sharing NCr6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°.

Authors:
Publication Date:
Other Number(s):
mp-1014318
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Cr3N2; Cr-N
OSTI Identifier:
1337321
DOI:
https://doi.org/10.17188/1337321

Citation Formats

The Materials Project. Materials Data on Cr3N2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1337321.
The Materials Project. Materials Data on Cr3N2 by Materials Project. United States. doi:https://doi.org/10.17188/1337321
The Materials Project. 2020. "Materials Data on Cr3N2 by Materials Project". United States. doi:https://doi.org/10.17188/1337321. https://www.osti.gov/servlets/purl/1337321. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1337321,
title = {Materials Data on Cr3N2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr3N2 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Cr2+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing CrN4 trigonal pyramids. There are a spread of Cr–N bond distances ranging from 1.94–2.00 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Cr2+ atoms to form a mixture of edge and corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles are 51°. In the second N3- site, N3- is bonded to six equivalent Cr2+ atoms to form a mixture of distorted edge and corner-sharing NCr6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°.},
doi = {10.17188/1337321},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}