Materials Data on ScTlF6 by Materials Project

doi:10.17188/1682762

Title: Materials Data on ScTlF6 by Materials Project

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Abstract

ScTlF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent TlF6 octahedra. The corner-sharing octahedral tilt angles are 31°. All Sc–F bond lengths are 2.03 Å. Tl3+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedral tilt angles are 31°. All Tl–F bond lengths are 2.19 Å. F1- is bonded in a bent 150 degrees geometry to one Sc3+ and one Tl3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1219252

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; ScTlF6; F-Sc-Tl

OSTI Identifier:: 1682762

DOI:: https://doi.org/10.17188/1682762

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                    The Materials Project. Materials Data on ScTlF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682762.

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                    The Materials Project. Materials Data on ScTlF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1682762

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                    The Materials Project. 2020.  
"Materials Data on ScTlF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1682762.  https://www.osti.gov/servlets/purl/1682762. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1682762,

  title        = {Materials Data on ScTlF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ScTlF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent TlF6 octahedra. The corner-sharing octahedral tilt angles are 31°. All Sc–F bond lengths are 2.03 Å. Tl3+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedral tilt angles are 31°. All Tl–F bond lengths are 2.19 Å. F1- is bonded in a bent 150 degrees geometry to one Sc3+ and one Tl3+ atom.},

  doi          = {10.17188/1682762},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1682762

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