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Title: Materials Data on CrN2 by Materials Project

Abstract

CrN2 crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.75 Å) Cr–N bond length. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.76 Å) Cr–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent Cr6+ atoms. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent Cr6+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1014910
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:
1337367
DOI:
https://doi.org/10.17188/1337367

Citation Formats

The Materials Project. Materials Data on CrN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1337367.
The Materials Project. Materials Data on CrN2 by Materials Project. United States. doi:https://doi.org/10.17188/1337367
The Materials Project. 2020. "Materials Data on CrN2 by Materials Project". United States. doi:https://doi.org/10.17188/1337367. https://www.osti.gov/servlets/purl/1337367. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1337367,
title = {Materials Data on CrN2 by Materials Project},
author = {The Materials Project},
abstractNote = {CrN2 crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.75 Å) Cr–N bond length. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.76 Å) Cr–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent Cr6+ atoms. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent Cr6+ atoms.},
doi = {10.17188/1337367},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}