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Title: Materials Data on TeOsCl2 by Materials Project

Abstract

OsTeCl2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Os4+ is bonded in a body-centered cubic geometry to four equivalent Te2- and four equivalent Cl1- atoms. All Os–Te bond lengths are 2.89 Å. All Os–Cl bond lengths are 2.89 Å. Te2- is bonded in a 4-coordinate geometry to four equivalent Os4+ and ten Cl1- atoms. There are four shorter (2.89 Å) and six longer (3.33 Å) Te–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Te2- atoms to form distorted ClTe4 tetrahedra that share corners with twenty-four ClTe4 tetrahedra and faces with four equivalent ClTe6Os4 tetrahedra. In the second Cl1- site, Cl1- is bonded to four equivalent Os4+ and six equivalent Te2- atoms to form a mixture of distorted face and corner-sharing ClTe6Os4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631398
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; TeOsCl2; Cl-Os-Te
OSTI Identifier:
1279124
DOI:
10.17188/1279124

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TeOsCl2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279124.
Persson, Kristin, & Project, Materials. Materials Data on TeOsCl2 by Materials Project. United States. doi:10.17188/1279124.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TeOsCl2 by Materials Project". United States. doi:10.17188/1279124. https://www.osti.gov/servlets/purl/1279124. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1279124,
title = {Materials Data on TeOsCl2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {OsTeCl2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Os4+ is bonded in a body-centered cubic geometry to four equivalent Te2- and four equivalent Cl1- atoms. All Os–Te bond lengths are 2.89 Å. All Os–Cl bond lengths are 2.89 Å. Te2- is bonded in a 4-coordinate geometry to four equivalent Os4+ and ten Cl1- atoms. There are four shorter (2.89 Å) and six longer (3.33 Å) Te–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Te2- atoms to form distorted ClTe4 tetrahedra that share corners with twenty-four ClTe4 tetrahedra and faces with four equivalent ClTe6Os4 tetrahedra. In the second Cl1- site, Cl1- is bonded to four equivalent Os4+ and six equivalent Te2- atoms to form a mixture of distorted face and corner-sharing ClTe6Os4 tetrahedra.},
doi = {10.17188/1279124},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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