Materials Data on Tl2SiF6 by Materials Project

doi:10.17188/1208584

Title: Materials Data on Tl2SiF6 by Materials Project

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Abstract

Tl2SiF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tl1+ is bonded to twelve equivalent F1- atoms to form distorted TlF12 cuboctahedra that share corners with twelve equivalent TlF12 cuboctahedra, faces with six equivalent TlF12 cuboctahedra, and faces with four equivalent SiF6 octahedra. All Tl–F bond lengths are 3.09 Å. Si4+ is bonded to six equivalent F1- atoms to form SiF6 octahedra that share faces with eight equivalent TlF12 cuboctahedra. All Si–F bond lengths are 1.72 Å. F1- is bonded in a single-bond geometry to four equivalent Tl1+ and one Si4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-5033

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; Tl2SiF6; F-Si-Tl

OSTI Identifier:: 1208584

DOI:: https://doi.org/10.17188/1208584

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                    The Materials Project. Materials Data on Tl2SiF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1208584.

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                    The Materials Project. Materials Data on Tl2SiF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208584

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                    The Materials Project. 2020.  
"Materials Data on Tl2SiF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208584.  https://www.osti.gov/servlets/purl/1208584. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1208584,

  title        = {Materials Data on Tl2SiF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tl2SiF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tl1+ is bonded to twelve equivalent F1- atoms to form distorted TlF12 cuboctahedra that share corners with twelve equivalent TlF12 cuboctahedra, faces with six equivalent TlF12 cuboctahedra, and faces with four equivalent SiF6 octahedra. All Tl–F bond lengths are 3.09 Å. Si4+ is bonded to six equivalent F1- atoms to form SiF6 octahedra that share faces with eight equivalent TlF12 cuboctahedra. All Si–F bond lengths are 1.72 Å. F1- is bonded in a single-bond geometry to four equivalent Tl1+ and one Si4+ atom.},

  doi          = {10.17188/1208584},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1208584

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