DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Cr3N4 by Materials Project

Abstract

Cr3N4 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr4+ is bonded to six N3- atoms to form a mixture of edge and corner-sharing CrN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–N bond lengths are 1.98 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a square co-planar geometry to four equivalent Cr4+ atoms. In the second N3- site, N3- is bonded to six equivalent Cr4+ atoms to form corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1014460
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; Cr3N4; Cr-N
OSTI Identifier:
1337351
DOI:
https://doi.org/10.17188/1337351

Citation Formats

The Materials Project. Materials Data on Cr3N4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1337351.
The Materials Project. Materials Data on Cr3N4 by Materials Project. United States. doi:https://doi.org/10.17188/1337351
The Materials Project. 2020. "Materials Data on Cr3N4 by Materials Project". United States. doi:https://doi.org/10.17188/1337351. https://www.osti.gov/servlets/purl/1337351. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1337351,
title = {Materials Data on Cr3N4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr3N4 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cr4+ is bonded to six N3- atoms to form a mixture of edge and corner-sharing CrN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–N bond lengths are 1.98 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a square co-planar geometry to four equivalent Cr4+ atoms. In the second N3- site, N3- is bonded to six equivalent Cr4+ atoms to form corner-sharing NCr6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1337351},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}