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Title: Materials Data on NaC2NO3 by Materials Project

Abstract

NaC2NO3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two NaC2NO3 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.81 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.22 Å. The C–O bond length is 1.18 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to one N3- and two O2- atoms. The C–N bond length is 1.44 Å. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. N3- is bonded in a bent 120 degrees geometry to two C4+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one C4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ andmore » one C4+ atom.« less

Publication Date:
Other Number(s):
mp-1193256
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; NaC2NO3; C-N-Na-O
OSTI Identifier:
1651744
DOI:
https://doi.org/10.17188/1651744

Citation Formats

The Materials Project. Materials Data on NaC2NO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651744.
The Materials Project. Materials Data on NaC2NO3 by Materials Project. United States. doi:https://doi.org/10.17188/1651744
The Materials Project. 2020. "Materials Data on NaC2NO3 by Materials Project". United States. doi:https://doi.org/10.17188/1651744. https://www.osti.gov/servlets/purl/1651744. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1651744,
title = {Materials Data on NaC2NO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaC2NO3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two NaC2NO3 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.81 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.22 Å. The C–O bond length is 1.18 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to one N3- and two O2- atoms. The C–N bond length is 1.44 Å. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. N3- is bonded in a bent 120 degrees geometry to two C4+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one C4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one C4+ atom.},
doi = {10.17188/1651744},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}