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Title: Materials Data on Nb2CN by Materials Project

Abstract

Nb2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nb+3.50+ is bonded to three equivalent C4- and three equivalent N3- atoms to form a mixture of edge and corner-sharing NbC3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–C bond lengths are 2.19 Å. All Nb–N bond lengths are 2.31 Å. C4- is bonded to six equivalent Nb+3.50+ atoms to form CNb6 octahedra that share corners with six equivalent NNb6 octahedra, edges with six equivalent CNb6 octahedra, and edges with six equivalent NNb6 octahedra. The corner-sharing octahedral tilt angles are 4°. N3- is bonded to six equivalent Nb+3.50+ atoms to form NNb6 octahedra that share corners with six equivalent CNb6 octahedra, edges with six equivalent CNb6 octahedra, and edges with six equivalent NNb6 octahedra. The corner-sharing octahedral tilt angles are 4°.

Publication Date:
Other Number(s):
mp-1220725
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; Nb2CN; C-N-Nb
OSTI Identifier:
1749705
DOI:
https://doi.org/10.17188/1749705

Citation Formats

The Materials Project. Materials Data on Nb2CN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749705.
The Materials Project. Materials Data on Nb2CN by Materials Project. United States. doi:https://doi.org/10.17188/1749705
The Materials Project. 2020. "Materials Data on Nb2CN by Materials Project". United States. doi:https://doi.org/10.17188/1749705. https://www.osti.gov/servlets/purl/1749705. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1749705,
title = {Materials Data on Nb2CN by Materials Project},
author = {The Materials Project},
abstractNote = {Nb2CN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nb+3.50+ is bonded to three equivalent C4- and three equivalent N3- atoms to form a mixture of edge and corner-sharing NbC3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–C bond lengths are 2.19 Å. All Nb–N bond lengths are 2.31 Å. C4- is bonded to six equivalent Nb+3.50+ atoms to form CNb6 octahedra that share corners with six equivalent NNb6 octahedra, edges with six equivalent CNb6 octahedra, and edges with six equivalent NNb6 octahedra. The corner-sharing octahedral tilt angles are 4°. N3- is bonded to six equivalent Nb+3.50+ atoms to form NNb6 octahedra that share corners with six equivalent CNb6 octahedra, edges with six equivalent CNb6 octahedra, and edges with six equivalent NNb6 octahedra. The corner-sharing octahedral tilt angles are 4°.},
doi = {10.17188/1749705},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}