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Title: Materials Data on Cs2Na(C2N3)3 by Materials Project

Abstract

Cs2Na(C2N3)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. There are three shorter (3.28 Å) and three longer (3.43 Å) Cs–N bond lengths. Na1+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Na–N bond lengths are 2.52 Å. 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 two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Na1+, and one C4+ atom. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent C4+ atoms.

Publication Date:
Other Number(s):
mp-567575
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; Cs2Na(C2N3)3; C-Cs-N-Na
OSTI Identifier:
1273936
DOI:
10.17188/1273936

Citation Formats

The Materials Project. Materials Data on Cs2Na(C2N3)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1273936.
The Materials Project. Materials Data on Cs2Na(C2N3)3 by Materials Project. United States. doi:10.17188/1273936.
The Materials Project. 2020. "Materials Data on Cs2Na(C2N3)3 by Materials Project". United States. doi:10.17188/1273936. https://www.osti.gov/servlets/purl/1273936. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1273936,
title = {Materials Data on Cs2Na(C2N3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Na(C2N3)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. There are three shorter (3.28 Å) and three longer (3.43 Å) Cs–N bond lengths. Na1+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Na–N bond lengths are 2.52 Å. 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 two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Na1+, and one C4+ atom. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent C4+ atoms.},
doi = {10.17188/1273936},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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