Materials Data on TlSbF6 by Materials Project

doi:10.17188/1308047

Title: Materials Data on TlSbF6 by Materials Project

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Abstract

TlSbF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with six equivalent SbF6 octahedra, edges with six equivalent TlF12 cuboctahedra, and faces with two equivalent SbF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are six shorter (3.05 Å) and six longer (3.27 Å) Tl–F bond lengths. Sb5+ is bonded to six equivalent F1- atoms to form SbF6 octahedra that share corners with six equivalent TlF12 cuboctahedra and faces with two equivalent TlF12 cuboctahedra. All Sb–F bond lengths are 1.92 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one Sb5+ atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-8348

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; TlSbF6; F-Sb-Tl

OSTI Identifier:: 1308047

DOI:: https://doi.org/10.17188/1308047

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                    The Materials Project. Materials Data on TlSbF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308047.

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                    The Materials Project. Materials Data on TlSbF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1308047

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                    The Materials Project. 2020.  
"Materials Data on TlSbF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1308047.  https://www.osti.gov/servlets/purl/1308047. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1308047,

  title        = {Materials Data on TlSbF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TlSbF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with six equivalent SbF6 octahedra, edges with six equivalent TlF12 cuboctahedra, and faces with two equivalent SbF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are six shorter (3.05 Å) and six longer (3.27 Å) Tl–F bond lengths. Sb5+ is bonded to six equivalent F1- atoms to form SbF6 octahedra that share corners with six equivalent TlF12 cuboctahedra and faces with two equivalent TlF12 cuboctahedra. All Sb–F bond lengths are 1.92 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Tl1+ and one Sb5+ atom.},

  doi          = {10.17188/1308047},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1308047

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