Materials Data on Na2CrAgF6 by Materials Project

doi:10.17188/1688053

Title: Materials Data on Na2CrAgF6 by Materials Project

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Abstract

Na2CrAgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent F1- atoms to form NaF12 cuboctahedra that share corners with twelve equivalent NaF12 cuboctahedra, faces with six equivalent NaF12 cuboctahedra, faces with four equivalent CrF6 octahedra, and faces with four equivalent AgF6 octahedra. All Na–F bond lengths are 3.03 Å. Cr3+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent AgF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–F bond lengths are 1.92 Å. Ag1+ is bonded to six equivalent F1- atoms to form AgF6 octahedra that share corners with six equivalent CrF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.35 Å. F1- is bonded in a distorted linear geometry to four equivalent Na1+, one Cr3+, and one Ag1+ atom.

Authors:: The Materials Project

Publication Date:: 2018-08-15

Other Number(s):: mp-1111094

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; Na2CrAgF6; Ag-Cr-F-Na

OSTI Identifier:: 1688053

DOI:: https://doi.org/10.17188/1688053

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                    The Materials Project. Materials Data on Na2CrAgF6 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1688053.

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                    The Materials Project. Materials Data on Na2CrAgF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1688053

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                    The Materials Project. 2018.  
"Materials Data on Na2CrAgF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1688053.  https://www.osti.gov/servlets/purl/1688053. Pub date:Wed Aug 15 00:00:00 EDT 2018

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@article{osti_1688053,

  title        = {Materials Data on Na2CrAgF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Na2CrAgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent F1- atoms to form NaF12 cuboctahedra that share corners with twelve equivalent NaF12 cuboctahedra, faces with six equivalent NaF12 cuboctahedra, faces with four equivalent CrF6 octahedra, and faces with four equivalent AgF6 octahedra. All Na–F bond lengths are 3.03 Å. Cr3+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent AgF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–F bond lengths are 1.92 Å. Ag1+ is bonded to six equivalent F1- atoms to form AgF6 octahedra that share corners with six equivalent CrF6 octahedra and faces with eight equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–F bond lengths are 2.35 Å. F1- is bonded in a distorted linear geometry to four equivalent Na1+, one Cr3+, and one Ag1+ atom.},

  doi          = {10.17188/1688053},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1688053

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