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Title: Materials Data on CuS4(N2Cl)2 by Materials Project

Abstract

CuCl2(NS)4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and two CuCl2 ribbons oriented in the (1, 0, 0) direction. In each CuCl2 ribbon, Cu2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-653586
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; CuS4(N2Cl)2; Cl-Cu-N-S
OSTI Identifier:
1281229
DOI:
https://doi.org/10.17188/1281229

Citation Formats

The Materials Project. Materials Data on CuS4(N2Cl)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281229.
The Materials Project. Materials Data on CuS4(N2Cl)2 by Materials Project. United States. doi:https://doi.org/10.17188/1281229
The Materials Project. 2020. "Materials Data on CuS4(N2Cl)2 by Materials Project". United States. doi:https://doi.org/10.17188/1281229. https://www.osti.gov/servlets/purl/1281229. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1281229,
title = {Materials Data on CuS4(N2Cl)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuCl2(NS)4 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and two CuCl2 ribbons oriented in the (1, 0, 0) direction. In each CuCl2 ribbon, Cu2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.31 Å) and two longer (2.32 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Cu2+ atoms.},
doi = {10.17188/1281229},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}