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Title: Materials Data on Ta2CN3 by Materials Project

Abstract

Ta2N3C crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional and consists of one methane molecule and one Ta2N3 framework. In the Ta2N3 framework, Ta+3.50+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge, face, and corner-sharing TaN6 pentagonal pyramids. All Ta–N bond lengths are 2.11 Å. N3- is bonded in a square co-planar geometry to four equivalent Ta+3.50+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-979265
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ta2CN3; C-N-Ta
OSTI Identifier:
1316105
DOI:
https://doi.org/10.17188/1316105

Citation Formats

The Materials Project. Materials Data on Ta2CN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316105.
The Materials Project. Materials Data on Ta2CN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316105
The Materials Project. 2020. "Materials Data on Ta2CN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316105. https://www.osti.gov/servlets/purl/1316105. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316105,
title = {Materials Data on Ta2CN3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta2N3C crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional and consists of one methane molecule and one Ta2N3 framework. In the Ta2N3 framework, Ta+3.50+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge, face, and corner-sharing TaN6 pentagonal pyramids. All Ta–N bond lengths are 2.11 Å. N3- is bonded in a square co-planar geometry to four equivalent Ta+3.50+ atoms.},
doi = {10.17188/1316105},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}