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Title: Materials Data on WSCl4 by Materials Project

Abstract

WSCl4 is alpha-like structured and 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 three shorter (2.30 Å) and one longer (2.31 Å) W–Cl bond lengths. 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.

Publication Date:
Other Number(s):
mp-756473
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:
1290528
DOI:
https://doi.org/10.17188/1290528

Citation Formats

The Materials Project. Materials Data on WSCl4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290528.
The Materials Project. Materials Data on WSCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1290528
The Materials Project. 2020. "Materials Data on WSCl4 by Materials Project". United States. doi:https://doi.org/10.17188/1290528. https://www.osti.gov/servlets/purl/1290528. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290528,
title = {Materials Data on WSCl4 by Materials Project},
author = {The Materials Project},
abstractNote = {WSCl4 is alpha-like structured and 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 three shorter (2.30 Å) and one longer (2.31 Å) W–Cl bond lengths. 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 = {10.17188/1290528},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}