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Title: Materials Data on SbSCl9 by Materials Project

Abstract

SbCl6SCl3 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four SCl3 clusters and four SbCl6 clusters. In each SCl3 cluster, S6+ is bonded in a trigonal non-coplanar geometry to three equivalent Cl1- atoms. All S–Cl bond lengths are 2.00 Å. Cl1- is bonded in a single-bond geometry to one S6+ atom. In two of the SbCl6 clusters, Sb3+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Sb–Cl bond lengths are 2.42 Å. Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In two of the SbCl6 clusters, Sb3+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. The Cl–Sb bond length is 2.41 Å. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. The Cl–Sb bond length is 2.41 Å.

Publication Date:
Other Number(s):
mp-28772
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; SbSCl9; Cl-S-Sb
OSTI Identifier:
1202830
DOI:
10.17188/1202830

Citation Formats

The Materials Project. Materials Data on SbSCl9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202830.
The Materials Project. Materials Data on SbSCl9 by Materials Project. United States. doi:10.17188/1202830.
The Materials Project. 2020. "Materials Data on SbSCl9 by Materials Project". United States. doi:10.17188/1202830. https://www.osti.gov/servlets/purl/1202830. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1202830,
title = {Materials Data on SbSCl9 by Materials Project},
author = {The Materials Project},
abstractNote = {SbCl6SCl3 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four SCl3 clusters and four SbCl6 clusters. In each SCl3 cluster, S6+ is bonded in a trigonal non-coplanar geometry to three equivalent Cl1- atoms. All S–Cl bond lengths are 2.00 Å. Cl1- is bonded in a single-bond geometry to one S6+ atom. In two of the SbCl6 clusters, Sb3+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Sb–Cl bond lengths are 2.42 Å. Cl1- is bonded in a single-bond geometry to one Sb3+ atom. In two of the SbCl6 clusters, Sb3+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. The Cl–Sb bond length is 2.41 Å. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb3+ atom. The Cl–Sb bond length is 2.41 Å.},
doi = {10.17188/1202830},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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