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Title: Materials Data on HfTa2N3 by Materials Project

Abstract

HfTa2N3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf is bonded in a hexagonal planar geometry to six equivalent N atoms. All Hf–N bond lengths are 2.63 Å. Ta is bonded to six equivalent N atoms to form a mixture of distorted face, edge, and corner-sharing TaN6 pentagonal pyramids. All Ta–N bond lengths are 2.13 Å. N is bonded to two equivalent Hf and four equivalent Ta atoms to form a mixture of face, edge, and corner-sharing NHf2Ta4 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Publication Date:
Other Number(s):
mp-1018718
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; HfTa2N3; Hf-N-Ta
OSTI Identifier:
1350466
DOI:
10.17188/1350466

Citation Formats

The Materials Project. Materials Data on HfTa2N3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350466.
The Materials Project. Materials Data on HfTa2N3 by Materials Project. United States. doi:10.17188/1350466.
The Materials Project. 2020. "Materials Data on HfTa2N3 by Materials Project". United States. doi:10.17188/1350466. https://www.osti.gov/servlets/purl/1350466. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1350466,
title = {Materials Data on HfTa2N3 by Materials Project},
author = {The Materials Project},
abstractNote = {HfTa2N3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf is bonded in a hexagonal planar geometry to six equivalent N atoms. All Hf–N bond lengths are 2.63 Å. Ta is bonded to six equivalent N atoms to form a mixture of distorted face, edge, and corner-sharing TaN6 pentagonal pyramids. All Ta–N bond lengths are 2.13 Å. N is bonded to two equivalent Hf and four equivalent Ta atoms to form a mixture of face, edge, and corner-sharing NHf2Ta4 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1350466},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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