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Title: Materials Data on WSCl4 by Materials Project

Abstract

WSCl4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two WSCl4 clusters. W6+ is bonded in a distorted trigonal bipyramidal geometry to one S2- and four Cl1- atoms. The W–S bond length is 2.10 Å. There are a spread of W–Cl bond distances ranging from 2.30–2.32 Å. S2- is bonded in a distorted single-bond geometry to one W6+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-979414
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; WSCl4; Cl-S-W
OSTI Identifier:
1316129
DOI:
10.17188/1316129

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on WSCl4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1316129.
Persson, Kristin, & Project, Materials. Materials Data on WSCl4 by Materials Project. United States. doi:10.17188/1316129.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on WSCl4 by Materials Project". United States. doi:10.17188/1316129. https://www.osti.gov/servlets/purl/1316129. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1316129,
title = {Materials Data on WSCl4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {WSCl4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two WSCl4 clusters. W6+ is bonded in a distorted trigonal bipyramidal geometry to one S2- and four Cl1- atoms. The W–S bond length is 2.10 Å. There are a spread of W–Cl bond distances ranging from 2.30–2.32 Å. S2- is bonded in a distorted single-bond geometry to one W6+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom.},
doi = {10.17188/1316129},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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