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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 hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing ZrN6 pentagonal pyramids. All Zr–N bond lengths are 2.31 Å. N3- is bonded to six equivalent Zr3+ atoms to form a mixture of edge, corner, and face-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 47°.

Publication Date:
Other Number(s):
mp-1093992
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:
1729305
DOI:
https://doi.org/10.17188/1729305

Citation Formats

The Materials Project. Materials Data on ZrN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729305.
The Materials Project. Materials Data on ZrN by Materials Project. United States. doi:https://doi.org/10.17188/1729305
The Materials Project. 2020. "Materials Data on ZrN by Materials Project". United States. doi:https://doi.org/10.17188/1729305. https://www.osti.gov/servlets/purl/1729305. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1729305,
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 hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge and corner-sharing ZrN6 pentagonal pyramids. All Zr–N bond lengths are 2.31 Å. N3- is bonded to six equivalent Zr3+ atoms to form a mixture of edge, corner, and face-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 47°.},
doi = {10.17188/1729305},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Works referenced in this record:

Production and characterization of hard films of ZrN with temperature variations
journal, August 2005


Chemical reactivity of PVD-coated WC–Co tools with steel
journal, January 2007