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Title: Materials Data on Te3WICl6 by Materials Project

Abstract

WTeICl6(Te)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight tellurium molecules and four WTeICl6 clusters. In each WTeICl6 cluster, W6+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of W–Cl bond distances ranging from 2.30–2.40 Å. Te+0.33+ is bonded in a linear geometry to one I1- and one Cl1- atom. The Te–I bond length is 2.71 Å. The Te–Cl bond length is 3.19 Å. I1- is bonded in a distorted single-bond geometry to one Te+0.33+ atom. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one W6+ and one Te+0.33+ 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. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-617352
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; Te3WICl6; Cl-I-Te-W
OSTI Identifier:
1277925
DOI:
10.17188/1277925

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Te3WICl6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277925.
Persson, Kristin, & Project, Materials. Materials Data on Te3WICl6 by Materials Project. United States. doi:10.17188/1277925.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Te3WICl6 by Materials Project". United States. doi:10.17188/1277925. https://www.osti.gov/servlets/purl/1277925. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1277925,
title = {Materials Data on Te3WICl6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {WTeICl6(Te)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight tellurium molecules and four WTeICl6 clusters. In each WTeICl6 cluster, W6+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of W–Cl bond distances ranging from 2.30–2.40 Å. Te+0.33+ is bonded in a linear geometry to one I1- and one Cl1- atom. The Te–I bond length is 2.71 Å. The Te–Cl bond length is 3.19 Å. I1- is bonded in a distorted single-bond geometry to one Te+0.33+ atom. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one W6+ and one Te+0.33+ 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. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one W6+ atom.},
doi = {10.17188/1277925},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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