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Title: Materials Data on NaNbN2 by Materials Project

Abstract

NaNbN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent N3- atoms to form distorted NaN6 octahedra that share corners with six equivalent NbN6 octahedra, edges with six equivalent NaN6 octahedra, and edges with six equivalent NbN6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Na–N bond lengths are 2.52 Å. Nb5+ is bonded to six equivalent N3- atoms to form NbN6 octahedra that share corners with six equivalent NaN6 octahedra, edges with six equivalent NaN6 octahedra, and edges with six equivalent NbN6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Nb–N bond lengths are 2.13 Å. N3- is bonded to three equivalent Na1+ and three equivalent Nb5+ atoms to form a mixture of corner and edge-sharing NNa3Nb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-7017
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; NaNbN2; N-Na-Nb
OSTI Identifier:
1285582
DOI:
https://doi.org/10.17188/1285582

Citation Formats

The Materials Project. Materials Data on NaNbN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285582.
The Materials Project. Materials Data on NaNbN2 by Materials Project. United States. doi:https://doi.org/10.17188/1285582
The Materials Project. 2020. "Materials Data on NaNbN2 by Materials Project". United States. doi:https://doi.org/10.17188/1285582. https://www.osti.gov/servlets/purl/1285582. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1285582,
title = {Materials Data on NaNbN2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNbN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent N3- atoms to form distorted NaN6 octahedra that share corners with six equivalent NbN6 octahedra, edges with six equivalent NaN6 octahedra, and edges with six equivalent NbN6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Na–N bond lengths are 2.52 Å. Nb5+ is bonded to six equivalent N3- atoms to form NbN6 octahedra that share corners with six equivalent NaN6 octahedra, edges with six equivalent NaN6 octahedra, and edges with six equivalent NbN6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Nb–N bond lengths are 2.13 Å. N3- is bonded to three equivalent Na1+ and three equivalent Nb5+ atoms to form a mixture of corner and edge-sharing NNa3Nb3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1285582},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}