Materials Data on Cs2NaInF6 by Materials Project

doi:10.17188/1189797

Title: Materials Data on Cs2NaInF6 by Materials Project

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Abstract

Cs2NaInF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent InF6 octahedra. All Cs–F bond lengths are 3.22 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.42 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.12 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Na1+, and one In3+ atom.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-13898

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; Cs2NaInF6; Cs-F-In-Na

OSTI Identifier:: 1189797

DOI:: https://doi.org/10.17188/1189797

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                    The Materials Project. Materials Data on Cs2NaInF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189797.

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                    The Materials Project. Materials Data on Cs2NaInF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189797

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                    The Materials Project. 2020.  
"Materials Data on Cs2NaInF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189797.  https://www.osti.gov/servlets/purl/1189797. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1189797,

  title        = {Materials Data on Cs2NaInF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2NaInF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent InF6 octahedra. All Cs–F bond lengths are 3.22 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent InF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.42 Å. In3+ is bonded to six equivalent F1- atoms to form InF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–F bond lengths are 2.12 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Na1+, and one In3+ atom.},

  doi          = {10.17188/1189797},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189797

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