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Title: Materials Data on Zr3N2 by Materials Project

Abstract

Zr3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Zr2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms. There are two shorter (2.28 Å) and two longer (2.32 Å) Zr–N bond lengths. N3- is bonded to six equivalent Zr2+ atoms to form a mixture of corner, edge, and face-sharing NZr6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°.

Authors:
Publication Date:
Other Number(s):
mp-866083
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; Zr3N2; N-Zr
OSTI Identifier:
1311338
DOI:
https://doi.org/10.17188/1311338

Citation Formats

The Materials Project. Materials Data on Zr3N2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1311338.
The Materials Project. Materials Data on Zr3N2 by Materials Project. United States. doi:https://doi.org/10.17188/1311338
The Materials Project. 2020. "Materials Data on Zr3N2 by Materials Project". United States. doi:https://doi.org/10.17188/1311338. https://www.osti.gov/servlets/purl/1311338. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1311338,
title = {Materials Data on Zr3N2 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Zr2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms. There are two shorter (2.28 Å) and two longer (2.32 Å) Zr–N bond lengths. N3- is bonded to six equivalent Zr2+ atoms to form a mixture of corner, edge, and face-sharing NZr6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°.},
doi = {10.17188/1311338},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}