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Title: Materials Data on CSN2 by Materials Project

Abstract

CN2S is High Pressure Cadmuum Telluride-derived structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of two amino-isothiocyanate molecules. C4+ is bonded in a linear geometry to one N1- and one S2- atom. The C–N bond length is 1.23 Å. The C–S bond length is 1.57 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted linear geometry to one C4+ and one N1- atom. The N–N bond length is 1.20 Å. In the second N1- site, N1- is bonded in a single-bond geometry to one N1- atom. S2- is bonded in a single-bond geometry to one C4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1227602
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CSN2; C-N-S
OSTI Identifier:
1688932
DOI:
https://doi.org/10.17188/1688932

Citation Formats

The Materials Project. Materials Data on CSN2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1688932.
The Materials Project. Materials Data on CSN2 by Materials Project. United States. doi:https://doi.org/10.17188/1688932
The Materials Project. 2019. "Materials Data on CSN2 by Materials Project". United States. doi:https://doi.org/10.17188/1688932. https://www.osti.gov/servlets/purl/1688932. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1688932,
title = {Materials Data on CSN2 by Materials Project},
author = {The Materials Project},
abstractNote = {CN2S is High Pressure Cadmuum Telluride-derived structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of two amino-isothiocyanate molecules. C4+ is bonded in a linear geometry to one N1- and one S2- atom. The C–N bond length is 1.23 Å. The C–S bond length is 1.57 Å. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a distorted linear geometry to one C4+ and one N1- atom. The N–N bond length is 1.20 Å. In the second N1- site, N1- is bonded in a single-bond geometry to one N1- atom. S2- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1688932},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}