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Title: Materials Data on Cs2CN2 by Materials Project

Abstract

Cs2CN2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of three Cs2CN2 ribbons oriented in the (-1, 1, 0) direction. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two N3- atoms. There are one shorter (3.10 Å) and one longer (3.11 Å) Cs–N bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two N3- atoms. There are one shorter (3.09 Å) and one longer (3.13 Å) Cs–N bond lengths. C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.25 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two Cs1+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two Cs1+ and one C4+ atom.

Publication Date:
Other Number(s):
mp-1029699
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; Cs2CN2; C-Cs-N
OSTI Identifier:
1743765
DOI:
https://doi.org/10.17188/1743765

Citation Formats

The Materials Project. Materials Data on Cs2CN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1743765.
The Materials Project. Materials Data on Cs2CN2 by Materials Project. United States. doi:https://doi.org/10.17188/1743765
The Materials Project. 2020. "Materials Data on Cs2CN2 by Materials Project". United States. doi:https://doi.org/10.17188/1743765. https://www.osti.gov/servlets/purl/1743765. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1743765,
title = {Materials Data on Cs2CN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2CN2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of three Cs2CN2 ribbons oriented in the (-1, 1, 0) direction. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two N3- atoms. There are one shorter (3.10 Å) and one longer (3.11 Å) Cs–N bond lengths. In the second Cs1+ site, Cs1+ is bonded in a 2-coordinate geometry to two N3- atoms. There are one shorter (3.09 Å) and one longer (3.13 Å) Cs–N bond lengths. C4+ is bonded in a linear geometry to two N3- atoms. Both C–N bond lengths are 1.25 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to two Cs1+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to two Cs1+ and one C4+ atom.},
doi = {10.17188/1743765},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}