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Title: Materials Data on ZrN by Materials Project

Abstract

ZrN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Zr3+ is bonded to six N3- atoms to form a mixture of distorted corner and edge-sharing ZrN6 pentagonal pyramids. There are a spread of Zr–N bond distances ranging from 2.29–2.33 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Zr3+ atoms to form a mixture of corner, edge, and face-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the second N3- site, N3- is bonded to six equivalent Zr3+ atoms to form a mixture of corner, edge, and face-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 47°.

Publication Date:
Other Number(s):
mp-1014160
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; ZrN; N-Zr
OSTI Identifier:
1330931
DOI:
10.17188/1330931

Citation Formats

The Materials Project. Materials Data on ZrN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1330931.
The Materials Project. Materials Data on ZrN by Materials Project. United States. doi:10.17188/1330931.
The Materials Project. 2020. "Materials Data on ZrN by Materials Project". United States. doi:10.17188/1330931. https://www.osti.gov/servlets/purl/1330931. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1330931,
title = {Materials Data on ZrN by Materials Project},
author = {The Materials Project},
abstractNote = {ZrN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Zr3+ is bonded to six N3- atoms to form a mixture of distorted corner and edge-sharing ZrN6 pentagonal pyramids. There are a spread of Zr–N bond distances ranging from 2.29–2.33 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Zr3+ atoms to form a mixture of corner, edge, and face-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 47°. In the second N3- site, N3- is bonded to six equivalent Zr3+ atoms to form a mixture of corner, edge, and face-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 47°.},
doi = {10.17188/1330931},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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