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Title: Materials Data on Ru(SCl3)4 by Materials Project

Abstract

RuSCl4(SCl2)3Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chlorine molecules, twelve sulfur dichloride molecules, and four RuSCl4 clusters. In each RuSCl4 cluster, Ru4+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are a spread of Ru–Cl bond distances ranging from 2.37–2.42 Å. S2+ is bonded in a 2-coordinate geometry to two Cl1- atoms. There are one shorter (2.02 Å) and one longer (2.68 Å) S–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Ru4+ and one S2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ru4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-624474
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; Ru(SCl3)4; Cl-Ru-S
OSTI Identifier:
1278263
DOI:
10.17188/1278263

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ru(SCl3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278263.
Persson, Kristin, & Project, Materials. Materials Data on Ru(SCl3)4 by Materials Project. United States. doi:10.17188/1278263.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ru(SCl3)4 by Materials Project". United States. doi:10.17188/1278263. https://www.osti.gov/servlets/purl/1278263. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1278263,
title = {Materials Data on Ru(SCl3)4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RuSCl4(SCl2)3Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chlorine molecules, twelve sulfur dichloride molecules, and four RuSCl4 clusters. In each RuSCl4 cluster, Ru4+ is bonded in a distorted T-shaped geometry to three Cl1- atoms. There are a spread of Ru–Cl bond distances ranging from 2.37–2.42 Å. S2+ is bonded in a 2-coordinate geometry to two Cl1- atoms. There are one shorter (2.02 Å) and one longer (2.68 Å) S–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ru4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Ru4+ and one S2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ru4+ atom.},
doi = {10.17188/1278263},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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