Materials Data on Tl2WCl6 by Materials Project

doi:10.17188/1204011

Title: Materials Data on Tl2WCl6 by Materials Project

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Abstract

WTl2Cl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. W4+ is bonded to six equivalent Cl1- atoms to form WCl6 octahedra that share faces with eight equivalent TlCl12 cuboctahedra. All W–Cl bond lengths are 2.39 Å. Tl1+ is bonded to twelve equivalent Cl1- atoms to form TlCl12 cuboctahedra that share corners with twelve equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with four equivalent WCl6 octahedra. All Tl–Cl bond lengths are 3.56 Å. Cl1- is bonded in a distorted single-bond geometry to one W4+ and four equivalent Tl1+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-29556

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; Tl2WCl6; Cl-Tl-W

OSTI Identifier:: 1204011

DOI:: https://doi.org/10.17188/1204011

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                    The Materials Project. Materials Data on Tl2WCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204011.

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                    The Materials Project. Materials Data on Tl2WCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204011

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                    The Materials Project. 2020.  
"Materials Data on Tl2WCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204011.  https://www.osti.gov/servlets/purl/1204011. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1204011,

  title        = {Materials Data on Tl2WCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WTl2Cl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. W4+ is bonded to six equivalent Cl1- atoms to form WCl6 octahedra that share faces with eight equivalent TlCl12 cuboctahedra. All W–Cl bond lengths are 2.39 Å. Tl1+ is bonded to twelve equivalent Cl1- atoms to form TlCl12 cuboctahedra that share corners with twelve equivalent TlCl12 cuboctahedra, faces with six equivalent TlCl12 cuboctahedra, and faces with four equivalent WCl6 octahedra. All Tl–Cl bond lengths are 3.56 Å. Cl1- is bonded in a distorted single-bond geometry to one W4+ and four equivalent Tl1+ atoms.},

  doi          = {10.17188/1204011},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204011

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