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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 two-dimensional and consists of two CN2 ribbons oriented in the (2, 0, 1) direction and two NaCN sheets oriented in the (0, 1, 0) direction. In each CN2 ribbon, C4+ is bonded in a water-like geometry to two N3- atoms. There is one shorter (1.35 Å) and one longer (1.42 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one C4+ and one N3- atom. The N–N bond length is 1.25 Å. In the second N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one C4+ and one N3- atom. The N–N bond length is 1.29 Å. In each NaCN sheet, Na1+ is bonded in a 3-coordinate geometry to three equivalent N3- atoms. There are a spread of Na–N bond distances ranging from 2.39–2.78 Å. C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one C4+ atom.

Publication Date:
Other Number(s):
mp-1180243
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:
1759642
DOI:
https://doi.org/10.17188/1759642

Citation Formats

The Materials Project. Materials Data on NaC2N3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1759642.
The Materials Project. Materials Data on NaC2N3 by Materials Project. United States. doi:https://doi.org/10.17188/1759642
The Materials Project. 2020. "Materials Data on NaC2N3 by Materials Project". United States. doi:https://doi.org/10.17188/1759642. https://www.osti.gov/servlets/purl/1759642. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1759642,
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 two-dimensional and consists of two CN2 ribbons oriented in the (2, 0, 1) direction and two NaCN sheets oriented in the (0, 1, 0) direction. In each CN2 ribbon, C4+ is bonded in a water-like geometry to two N3- atoms. There is one shorter (1.35 Å) and one longer (1.42 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one C4+ and one N3- atom. The N–N bond length is 1.25 Å. In the second N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one C4+ and one N3- atom. The N–N bond length is 1.29 Å. In each NaCN sheet, Na1+ is bonded in a 3-coordinate geometry to three equivalent N3- atoms. There are a spread of Na–N bond distances ranging from 2.39–2.78 Å. C4+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. N3- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one C4+ atom.},
doi = {10.17188/1759642},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}