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Title: Materials Data on NaN3 by Materials Project

Abstract

NaN3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent N+0.33- atoms to form edge-sharing NaN6 octahedra. There are two shorter (2.51 Å) and four longer (2.55 Å) Na–N bond lengths. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a rectangular see-saw-like geometry to three equivalent Na1+ and one N+0.33- atom. The N–N bond length is 1.19 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms.

Publication Date:
Other Number(s):
mp-570538
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:
1272747
DOI:
10.17188/1272747

Citation Formats

The Materials Project. Materials Data on NaN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272747.
The Materials Project. Materials Data on NaN3 by Materials Project. United States. doi:10.17188/1272747.
The Materials Project. 2020. "Materials Data on NaN3 by Materials Project". United States. doi:10.17188/1272747. https://www.osti.gov/servlets/purl/1272747. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1272747,
title = {Materials Data on NaN3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaN3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent N+0.33- atoms to form edge-sharing NaN6 octahedra. There are two shorter (2.51 Å) and four longer (2.55 Å) Na–N bond lengths. There are two inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a rectangular see-saw-like geometry to three equivalent Na1+ and one N+0.33- atom. The N–N bond length is 1.19 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms.},
doi = {10.17188/1272747},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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