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Title: Materials Data on CsC2N3 by Materials Project

Abstract

CsC2N3 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent N3- atoms to form edge-sharing CsN6 octahedra. There are a spread of Cs–N bond distances ranging from 3.22–3.31 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.29 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent C4+ atoms. In the second N3- site, N3- is bonded in a 4-coordinate geometry to three equivalent Cs1+ and one C4+ atom.

Publication Date:
Other Number(s):
mp-1029718
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; CsC2N3; C-Cs-N
OSTI Identifier:
1684581
DOI:
https://doi.org/10.17188/1684581

Citation Formats

The Materials Project. Materials Data on CsC2N3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1684581.
The Materials Project. Materials Data on CsC2N3 by Materials Project. United States. doi:https://doi.org/10.17188/1684581
The Materials Project. 2020. "Materials Data on CsC2N3 by Materials Project". United States. doi:https://doi.org/10.17188/1684581. https://www.osti.gov/servlets/purl/1684581. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1684581,
title = {Materials Data on CsC2N3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsC2N3 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent N3- atoms to form edge-sharing CsN6 octahedra. There are a spread of Cs–N bond distances ranging from 3.22–3.31 Å. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.19 Å) and one longer (1.29 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent C4+ atoms. In the second N3- site, N3- is bonded in a 4-coordinate geometry to three equivalent Cs1+ and one C4+ atom.},
doi = {10.17188/1684581},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}