Materials Data on NaLi2CoF6 by Materials Project

doi:10.17188/1732947

Title: Materials Data on NaLi2CoF6 by Materials Project

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Abstract

NaLi2CoF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent CoF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.14 Å. Li1+ is bonded to twelve equivalent F1- atoms to form distorted LiF12 cuboctahedra that share corners with twelve equivalent LiF12 cuboctahedra, faces with six equivalent LiF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent CoF6 octahedra. All Li–F bond lengths are 2.82 Å. Co3+ is bonded to six equivalent F1- atoms to form CoF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–F bond lengths are 1.85 Å. F1- is bonded in a linear geometry to one Na1+, four equivalent Li1+, and one Co3+ atom.

Authors:: The Materials Project

Publication Date:: 2018-08-15

Other Number(s):: mp-1111550

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; NaLi2CoF6; Co-F-Li-Na

OSTI Identifier:: 1732947

DOI:: https://doi.org/10.17188/1732947

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                    The Materials Project. Materials Data on NaLi2CoF6 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1732947.

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                    The Materials Project. Materials Data on NaLi2CoF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732947

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                    The Materials Project. 2018.  
"Materials Data on NaLi2CoF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732947.  https://www.osti.gov/servlets/purl/1732947. Pub date:Wed Aug 15 00:00:00 EDT 2018

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@article{osti_1732947,

  title        = {Materials Data on NaLi2CoF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaLi2CoF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent CoF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.14 Å. Li1+ is bonded to twelve equivalent F1- atoms to form distorted LiF12 cuboctahedra that share corners with twelve equivalent LiF12 cuboctahedra, faces with six equivalent LiF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent CoF6 octahedra. All Li–F bond lengths are 2.82 Å. Co3+ is bonded to six equivalent F1- atoms to form CoF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent LiF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–F bond lengths are 1.85 Å. F1- is bonded in a linear geometry to one Na1+, four equivalent Li1+, and one Co3+ atom.},

  doi          = {10.17188/1732947},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1732947

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