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Title: Materials Data on ZrTaNO by Materials Project

Abstract

ZrTaNO crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Zr2+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Zr–O bond lengths are 2.12 Å. Ta3+ is bonded to three equivalent N3- and two equivalent O2- atoms to form corner-sharing TaN3O2 trigonal bipyramids. All Ta–N bond lengths are 2.12 Å. Both Ta–O bond lengths are 2.28 Å. N3- is bonded in a trigonal planar geometry to three equivalent Ta3+ atoms. O2- is bonded to three equivalent Zr2+ and two equivalent Ta3+ atoms to form corner-sharing OZr3Ta2 trigonal bipyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-552674
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; ZrTaNO; N-O-Ta-Zr
OSTI Identifier:
1267579
DOI:
10.17188/1267579

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ZrTaNO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267579.
Persson, Kristin, & Project, Materials. Materials Data on ZrTaNO by Materials Project. United States. doi:10.17188/1267579.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ZrTaNO by Materials Project". United States. doi:10.17188/1267579. https://www.osti.gov/servlets/purl/1267579. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1267579,
title = {Materials Data on ZrTaNO by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ZrTaNO crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Zr2+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All Zr–O bond lengths are 2.12 Å. Ta3+ is bonded to three equivalent N3- and two equivalent O2- atoms to form corner-sharing TaN3O2 trigonal bipyramids. All Ta–N bond lengths are 2.12 Å. Both Ta–O bond lengths are 2.28 Å. N3- is bonded in a trigonal planar geometry to three equivalent Ta3+ atoms. O2- is bonded to three equivalent Zr2+ and two equivalent Ta3+ atoms to form corner-sharing OZr3Ta2 trigonal bipyramids.},
doi = {10.17188/1267579},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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