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Title: Materials Data on CuCSN by Materials Project

Abstract

CuSCN crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Cu1+ is bonded to one N3- and three equivalent S2- atoms to form corner-sharing CuS3N tetrahedra. The Cu–N bond length is 1.89 Å. All Cu–S bond lengths are 2.34 Å. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. N3- is bonded in a linear geometry to one Cu1+ and one C4+ atom. S2- is bonded to three equivalent Cu1+ and one C4+ atom to form corner-sharing SCu3C tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-559044
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; CuCSN; C-Cu-N-S
OSTI Identifier:
1270619
DOI:
10.17188/1270619

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CuCSN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270619.
Persson, Kristin, & Project, Materials. Materials Data on CuCSN by Materials Project. United States. doi:10.17188/1270619.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CuCSN by Materials Project". United States. doi:10.17188/1270619. https://www.osti.gov/servlets/purl/1270619. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1270619,
title = {Materials Data on CuCSN by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CuSCN crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Cu1+ is bonded to one N3- and three equivalent S2- atoms to form corner-sharing CuS3N tetrahedra. The Cu–N bond length is 1.89 Å. All Cu–S bond lengths are 2.34 Å. C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.66 Å. N3- is bonded in a linear geometry to one Cu1+ and one C4+ atom. S2- is bonded to three equivalent Cu1+ and one C4+ atom to form corner-sharing SCu3C tetrahedra.},
doi = {10.17188/1270619},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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