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Title: Materials Data on NaN3 by Materials Project

Abstract

NaN3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of Na–N bond distances ranging from 2.20–2.92 Å. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two N+0.33- atoms. Both N–N bond lengths are 1.19 Å. In the second N+0.33- site, N+0.33- is bonded to three equivalent Na1+ and one N+0.33- atom to form a mixture of distorted corner and edge-sharing NNa3N trigonal pyramids. In the third N+0.33- site, N+0.33- is bonded to three equivalent Na1+ and one N+0.33- atom to form a mixture of distorted corner and edge-sharing NNa3N trigonal pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-634410
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; NaN3; N-Na
OSTI Identifier:
1279459
DOI:
10.17188/1279459

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279459.
Persson, Kristin, & Project, Materials. Materials Data on NaN3 by Materials Project. United States. doi:10.17188/1279459.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaN3 by Materials Project". United States. doi:10.17188/1279459. https://www.osti.gov/servlets/purl/1279459. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279459,
title = {Materials Data on NaN3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaN3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of Na–N bond distances ranging from 2.20–2.92 Å. There are three inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two N+0.33- atoms. Both N–N bond lengths are 1.19 Å. In the second N+0.33- site, N+0.33- is bonded to three equivalent Na1+ and one N+0.33- atom to form a mixture of distorted corner and edge-sharing NNa3N trigonal pyramids. In the third N+0.33- site, N+0.33- is bonded to three equivalent Na1+ and one N+0.33- atom to form a mixture of distorted corner and edge-sharing NNa3N trigonal pyramids.},
doi = {10.17188/1279459},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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