Materials Data on TlInF6 by Materials Project

doi:10.17188/1728948

Title: Materials Data on TlInF6 by Materials Project

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Abstract

TlInF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tl3+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent InF6 octahedra. The corner-sharing octahedral tilt angles are 33°. All Tl–F bond lengths are 2.19 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent TlF6 octahedra. The corner-sharing octahedral tilt angles are 33°. All In–F bond lengths are 2.11 Å. F1- is bonded in a bent 150 degrees geometry to one Tl3+ and one In3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1216588

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; TlInF6; F-In-Tl

OSTI Identifier:: 1728948

DOI:: https://doi.org/10.17188/1728948

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                    The Materials Project. Materials Data on TlInF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1728948.

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                    The Materials Project. Materials Data on TlInF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1728948

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                    The Materials Project. 2020.  
"Materials Data on TlInF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1728948.  https://www.osti.gov/servlets/purl/1728948. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1728948,

  title        = {Materials Data on TlInF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TlInF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tl3+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent InF6 octahedra. The corner-sharing octahedral tilt angles are 33°. All Tl–F bond lengths are 2.19 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent TlF6 octahedra. The corner-sharing octahedral tilt angles are 33°. All In–F bond lengths are 2.11 Å. F1- is bonded in a bent 150 degrees geometry to one Tl3+ and one In3+ atom.},

  doi          = {10.17188/1728948},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1728948

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