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Title: Materials Data on CrN2 by Materials Project

Abstract

CrN2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cr6+ is bonded to six equivalent N3- atoms to form CrN6 octahedra that share corners with twelve equivalent CrN6 octahedra and corners with six equivalent NCr3N tetrahedra. The corner-sharing octahedral tilt angles are 71°. All Cr–N bond lengths are 2.06 Å. N3- is bonded to three equivalent Cr6+ and one N3- atom to form NCr3N tetrahedra that share corners with three equivalent CrN6 octahedra and corners with fifteen equivalent NCr3N tetrahedra. The corner-sharing octahedral tilt angles are 70°. The N–N bond length is 1.36 Å.

Authors:
Publication Date:
Other Number(s):
mp-1014993
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; CrN2; Cr-N
OSTI Identifier:
1337374
DOI:
https://doi.org/10.17188/1337374

Citation Formats

The Materials Project. Materials Data on CrN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1337374.
The Materials Project. Materials Data on CrN2 by Materials Project. United States. doi:https://doi.org/10.17188/1337374
The Materials Project. 2020. "Materials Data on CrN2 by Materials Project". United States. doi:https://doi.org/10.17188/1337374. https://www.osti.gov/servlets/purl/1337374. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1337374,
title = {Materials Data on CrN2 by Materials Project},
author = {The Materials Project},
abstractNote = {CrN2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cr6+ is bonded to six equivalent N3- atoms to form CrN6 octahedra that share corners with twelve equivalent CrN6 octahedra and corners with six equivalent NCr3N tetrahedra. The corner-sharing octahedral tilt angles are 71°. All Cr–N bond lengths are 2.06 Å. N3- is bonded to three equivalent Cr6+ and one N3- atom to form NCr3N tetrahedra that share corners with three equivalent CrN6 octahedra and corners with fifteen equivalent NCr3N tetrahedra. The corner-sharing octahedral tilt angles are 70°. The N–N bond length is 1.36 Å.},
doi = {10.17188/1337374},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}