Materials Data on Cs2SnF6 by Materials Project

doi:10.17188/1287645

Title: Materials Data on Cs2SnF6 by Materials Project

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Abstract

Cs2SnF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form distorted CsF12 cuboctahedra that share corners with six equivalent CsF12 cuboctahedra, corners with three equivalent SnF6 octahedra, faces with eight equivalent CsF12 cuboctahedra, and faces with three equivalent SnF6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are a spread of Cs–F bond distances ranging from 3.21–3.38 Å. Sn4+ is bonded to six equivalent F1- atoms to form SnF6 octahedra that share corners with six equivalent CsF12 cuboctahedra and faces with six equivalent CsF12 cuboctahedra. All Sn–F bond lengths are 2.01 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Sn4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-7297

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; Cs2SnF6; Cs-F-Sn

OSTI Identifier:: 1287645

DOI:: https://doi.org/10.17188/1287645

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                    The Materials Project. Materials Data on Cs2SnF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287645.

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                    The Materials Project. Materials Data on Cs2SnF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287645

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                    The Materials Project. 2020.  
"Materials Data on Cs2SnF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287645.  https://www.osti.gov/servlets/purl/1287645. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1287645,

  title        = {Materials Data on Cs2SnF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2SnF6 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form distorted CsF12 cuboctahedra that share corners with six equivalent CsF12 cuboctahedra, corners with three equivalent SnF6 octahedra, faces with eight equivalent CsF12 cuboctahedra, and faces with three equivalent SnF6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are a spread of Cs–F bond distances ranging from 3.21–3.38 Å. Sn4+ is bonded to six equivalent F1- atoms to form SnF6 octahedra that share corners with six equivalent CsF12 cuboctahedra and faces with six equivalent CsF12 cuboctahedra. All Sn–F bond lengths are 2.01 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Sn4+ atom.},

  doi          = {10.17188/1287645},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1287645

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