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Title: Materials Data on NaC2N3 by Materials Project

Abstract

NaN(CN)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six N3- atoms to form edge-sharing NaN6 octahedra. There are a spread of Na–N bond distances ranging from 2.49–2.57 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a rectangular see-saw-like geometry to three equivalent Na1+ and one C4+ atom. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one C4+ atom. In the third N3- site, N3- is bonded in a trigonal planar geometry to one Na1+ and two C4+ atoms.

Publication Date:
Other Number(s):
mp-628583
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; NaC2N3; C-N-Na
OSTI Identifier:
1278911
DOI:
https://doi.org/10.17188/1278911

Citation Formats

The Materials Project. Materials Data on NaC2N3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278911.
The Materials Project. Materials Data on NaC2N3 by Materials Project. United States. doi:https://doi.org/10.17188/1278911
The Materials Project. 2020. "Materials Data on NaC2N3 by Materials Project". United States. doi:https://doi.org/10.17188/1278911. https://www.osti.gov/servlets/purl/1278911. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1278911,
title = {Materials Data on NaC2N3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaN(CN)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six N3- atoms to form edge-sharing NaN6 octahedra. There are a spread of Na–N bond distances ranging from 2.49–2.57 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.30 Å) C–N bond length. In the second C4+ site, C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a rectangular see-saw-like geometry to three equivalent Na1+ and one C4+ atom. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one C4+ atom. In the third N3- site, N3- is bonded in a trigonal planar geometry to one Na1+ and two C4+ atoms.},
doi = {10.17188/1278911},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}