Materials Data on Cs2CeAgF6 by Materials Project

doi:10.17188/1655989

Title: Materials Data on Cs2CeAgF6 by Materials Project

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Abstract

Cs2CeAgF6 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 CeF6 octahedra, and faces with four equivalent AgF6 octahedra. All Cs–F bond lengths are 3.39 Å. Ce3+ is bonded to six equivalent F1- atoms to form CeF6 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 Ce–F bond lengths are 2.30 Å. Ag1+ is bonded to six equivalent F1- atoms to form AgF6 octahedra that share corners with six equivalent CeF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.50 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Ce3+, and one Ag1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-1113538

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; Cs2CeAgF6; Ag-Ce-Cs-F

OSTI Identifier:: 1655989

DOI:: https://doi.org/10.17188/1655989

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                    The Materials Project. Materials Data on Cs2CeAgF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1655989.

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                    The Materials Project. Materials Data on Cs2CeAgF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1655989

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                    The Materials Project. 2020.  
"Materials Data on Cs2CeAgF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1655989.  https://www.osti.gov/servlets/purl/1655989. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1655989,

  title        = {Materials Data on Cs2CeAgF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2CeAgF6 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 CeF6 octahedra, and faces with four equivalent AgF6 octahedra. All Cs–F bond lengths are 3.39 Å. Ce3+ is bonded to six equivalent F1- atoms to form CeF6 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 Ce–F bond lengths are 2.30 Å. Ag1+ is bonded to six equivalent F1- atoms to form AgF6 octahedra that share corners with six equivalent CeF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.50 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Ce3+, and one Ag1+ atom.},

  doi          = {10.17188/1655989},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1655989

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