Materials Data on TeOsCl2 by Materials Project

doi:10.17188/1279124

Title: Materials Data on TeOsCl2 by Materials Project

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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:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-631398

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; TeOsCl2; Cl-Os-Te

OSTI Identifier:: 1279124

DOI:: https://doi.org/10.17188/1279124

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                    The Materials Project. Materials Data on TeOsCl2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279124.

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                    The Materials Project. Materials Data on TeOsCl2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279124

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                    The Materials Project. 2020.  
"Materials Data on TeOsCl2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279124.  https://www.osti.gov/servlets/purl/1279124. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1279124,

  title        = {Materials Data on TeOsCl2 by Materials Project},

  author       = {The Materials Project},

  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         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279124

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