Materials Data on Cs2NaPbF6 by Materials Project

doi:10.17188/1316855

Title: Materials Data on Cs2NaPbF6 by Materials Project

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Abstract

Cs2NaPbF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent F 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 PbF6 octahedra. All Cs–F bond lengths are 3.29 Å. Na is bonded to six equivalent F atoms to form NaF6 octahedra that share corners with six equivalent PbF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.37 Å. Pb is bonded to six equivalent F atoms to form PbF6 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 Pb–F bond lengths are 2.28 Å. F is bonded in a distorted linear geometry to four equivalent Cs, one Na, and one Pb atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-989556

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; Cs2NaPbF6; Cs-F-Na-Pb

OSTI Identifier:: 1316855

DOI:: https://doi.org/10.17188/1316855

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                    The Materials Project. Materials Data on Cs2NaPbF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316855.

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                    The Materials Project. Materials Data on Cs2NaPbF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316855

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                    The Materials Project. 2020.  
"Materials Data on Cs2NaPbF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316855.  https://www.osti.gov/servlets/purl/1316855. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1316855,

  title        = {Materials Data on Cs2NaPbF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2NaPbF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs is bonded to twelve equivalent F 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 PbF6 octahedra. All Cs–F bond lengths are 3.29 Å. Na is bonded to six equivalent F atoms to form NaF6 octahedra that share corners with six equivalent PbF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.37 Å. Pb is bonded to six equivalent F atoms to form PbF6 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 Pb–F bond lengths are 2.28 Å. F is bonded in a distorted linear geometry to four equivalent Cs, one Na, and one Pb atom.},

  doi          = {10.17188/1316855},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316855

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