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Title: Materials Data on Te7WCl5O by Materials Project

Abstract

WOCl4(Te)5Te2Cl crystallizes in the orthorhombic Pcca space group. The structure is one-dimensional and consists of twenty tellurium molecules; four Te2Cl clusters; and two WOCl4 ribbons oriented in the (1, 0, 0) direction. In each Te2Cl cluster, Te+0.57+ is bonded in a single-bond geometry to one Cl1- atom. The Te–Cl bond length is 3.18 Å. Cl1- is bonded in a water-like geometry to two equivalent Te+0.57+ atoms. In each WOCl4 ribbon, W3+ is bonded to two equivalent O2- and four Cl1- atoms to form corner-sharing WCl4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. There is one shorter (1.86 Å) and one longer (2.03 Å) W–O bond length. All W–Cl bond lengths are 2.41 Å. O2- is bonded in a linear geometry to two equivalent W3+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W3+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-697593
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; Te7WCl5O; Cl-O-Te-W
OSTI Identifier:
1285167
DOI:
10.17188/1285167

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Te7WCl5O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285167.
Persson, Kristin, & Project, Materials. Materials Data on Te7WCl5O by Materials Project. United States. doi:10.17188/1285167.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Te7WCl5O by Materials Project". United States. doi:10.17188/1285167. https://www.osti.gov/servlets/purl/1285167. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1285167,
title = {Materials Data on Te7WCl5O by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {WOCl4(Te)5Te2Cl crystallizes in the orthorhombic Pcca space group. The structure is one-dimensional and consists of twenty tellurium molecules; four Te2Cl clusters; and two WOCl4 ribbons oriented in the (1, 0, 0) direction. In each Te2Cl cluster, Te+0.57+ is bonded in a single-bond geometry to one Cl1- atom. The Te–Cl bond length is 3.18 Å. Cl1- is bonded in a water-like geometry to two equivalent Te+0.57+ atoms. In each WOCl4 ribbon, W3+ is bonded to two equivalent O2- and four Cl1- atoms to form corner-sharing WCl4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. There is one shorter (1.86 Å) and one longer (2.03 Å) W–O bond length. All W–Cl bond lengths are 2.41 Å. O2- is bonded in a linear geometry to two equivalent W3+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one W3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one W3+ atom.},
doi = {10.17188/1285167},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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