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

Title: Materials Data on Zr3N4 by Materials Project

Abstract

Zr3N4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (2.25 Å) and four longer (2.47 Å) Zr–N bond lengths. N3- is bonded to six equivalent Zr4+ atoms to form a mixture of distorted corner, edge, and face-sharing NZr6 octahedra. The corner-sharing octahedra tilt angles range from 20–48°.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-11661
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Zr3N4; N-Zr
OSTI Identifier:
1188134
DOI:
10.17188/1188134

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Zr3N4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188134.
Persson, Kristin, & Project, Materials. Materials Data on Zr3N4 by Materials Project. United States. doi:10.17188/1188134.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Zr3N4 by Materials Project". United States. doi:10.17188/1188134. https://www.osti.gov/servlets/purl/1188134. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188134,
title = {Materials Data on Zr3N4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Zr3N4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (2.25 Å) and four longer (2.47 Å) Zr–N bond lengths. N3- is bonded to six equivalent Zr4+ atoms to form a mixture of distorted corner, edge, and face-sharing NZr6 octahedra. The corner-sharing octahedra tilt angles range from 20–48°.},
doi = {10.17188/1188134},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: