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

Title: Materials Data on TaN by Materials Project

Abstract

TaN crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ta3+ is bonded to six N3- atoms to form a mixture of face, edge, and corner-sharing TaN6 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. There are four shorter (2.20 Å) and two longer (2.68 Å) Ta–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Ta3+ atoms to form a mixture of distorted face, edge, and corner-sharing NTa6 pentagonal pyramids. In the second N3- site, N3- is bonded in a hexagonal planar geometry to six equivalent Ta3+ atoms.

Publication Date:
Other Number(s):
mp-570454
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; TaN; N-Ta
OSTI Identifier:
1275714
DOI:
10.17188/1275714

Citation Formats

The Materials Project. Materials Data on TaN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275714.
The Materials Project. Materials Data on TaN by Materials Project. United States. doi:10.17188/1275714.
The Materials Project. 2020. "Materials Data on TaN by Materials Project". United States. doi:10.17188/1275714. https://www.osti.gov/servlets/purl/1275714. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275714,
title = {Materials Data on TaN by Materials Project},
author = {The Materials Project},
abstractNote = {TaN crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ta3+ is bonded to six N3- atoms to form a mixture of face, edge, and corner-sharing TaN6 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. There are four shorter (2.20 Å) and two longer (2.68 Å) Ta–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Ta3+ atoms to form a mixture of distorted face, edge, and corner-sharing NTa6 pentagonal pyramids. In the second N3- site, N3- is bonded in a hexagonal planar geometry to six equivalent Ta3+ atoms.},
doi = {10.17188/1275714},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: