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Title: Materials Data on Cr3N2 by Materials Project

Abstract

Cr3N2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cr–N bond lengths are 1.94 Å. In the second Cr2+ site, Cr2+ is bonded to five equivalent N3- atoms to form a mixture of corner and edge-sharing CrN5 square pyramids. There are four shorter (2.03 Å) and one longer (2.06 Å) Cr–N bond lengths. N3- is bonded to six Cr2+ atoms to form a mixture of corner and edge-sharing NCr6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°.

Authors:
Publication Date:
Other Number(s):
mp-1014303
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:
1337311
DOI:
https://doi.org/10.17188/1337311

Citation Formats

The Materials Project. Materials Data on Cr3N2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1337311.
The Materials Project. Materials Data on Cr3N2 by Materials Project. United States. doi:https://doi.org/10.17188/1337311
The Materials Project. 2020. "Materials Data on Cr3N2 by Materials Project". United States. doi:https://doi.org/10.17188/1337311. https://www.osti.gov/servlets/purl/1337311. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1337311,
title = {Materials Data on Cr3N2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr3N2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cr–N bond lengths are 1.94 Å. In the second Cr2+ site, Cr2+ is bonded to five equivalent N3- atoms to form a mixture of corner and edge-sharing CrN5 square pyramids. There are four shorter (2.03 Å) and one longer (2.06 Å) Cr–N bond lengths. N3- is bonded to six Cr2+ atoms to form a mixture of corner and edge-sharing NCr6 octahedra. The corner-sharing octahedra tilt angles range from 0–10°.},
doi = {10.17188/1337311},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}