Materials Data on Cs2KAgF6 by Materials Project

doi:10.17188/1189720

Title: Materials Data on Cs2KAgF6 by Materials Project

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Abstract

Cs2KAgF6 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 KF6 octahedra, and faces with four equivalent AgF6 octahedra. All Cs–F bond lengths are 3.33 Å. K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent AgF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.58 Å. Ag3+ is bonded to six equivalent F1- atoms to form AgF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.13 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Ag3+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-13687

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; Cs2KAgF6; Ag-Cs-F-K

OSTI Identifier:: 1189720

DOI:: https://doi.org/10.17188/1189720

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                    The Materials Project. Materials Data on Cs2KAgF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189720.

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                    The Materials Project. Materials Data on Cs2KAgF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189720

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                    The Materials Project. 2020.  
"Materials Data on Cs2KAgF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189720.  https://www.osti.gov/servlets/purl/1189720. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1189720,

  title        = {Materials Data on Cs2KAgF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2KAgF6 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 KF6 octahedra, and faces with four equivalent AgF6 octahedra. All Cs–F bond lengths are 3.33 Å. K1+ is bonded to six equivalent F1- atoms to form KF6 octahedra that share corners with six equivalent AgF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–F bond lengths are 2.58 Å. Ag3+ is bonded to six equivalent F1- atoms to form AgF6 octahedra that share corners with six equivalent KF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.13 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Ag3+ atom.},

  doi          = {10.17188/1189720},

  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/10.17188/1189720

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