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Title: Materials Data on ZrN2 by Materials Project

Abstract

ZrN2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight N2- atoms. There are a spread of Zr–N bond distances ranging from 2.17–2.52 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a 2-coordinate geometry to four equivalent Zr4+ and one N2- atom. The N–N bond length is 1.47 Å. In the second N2- site, N2- is bonded in a 5-coordinate geometry to four equivalent Zr4+ and one N2- atom.

Authors:
Publication Date:
Other Number(s):
mp-1178600
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; ZrN2; N-Zr
OSTI Identifier:
1746433
DOI:
https://doi.org/10.17188/1746433

Citation Formats

The Materials Project. Materials Data on ZrN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746433.
The Materials Project. Materials Data on ZrN2 by Materials Project. United States. doi:https://doi.org/10.17188/1746433
The Materials Project. 2020. "Materials Data on ZrN2 by Materials Project". United States. doi:https://doi.org/10.17188/1746433. https://www.osti.gov/servlets/purl/1746433. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1746433,
title = {Materials Data on ZrN2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrN2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight N2- atoms. There are a spread of Zr–N bond distances ranging from 2.17–2.52 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a 2-coordinate geometry to four equivalent Zr4+ and one N2- atom. The N–N bond length is 1.47 Å. In the second N2- site, N2- is bonded in a 5-coordinate geometry to four equivalent Zr4+ and one N2- atom.},
doi = {10.17188/1746433},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}