Materials Data on CaBiF6 by Materials Project

doi:10.17188/1318897

Title: Materials Data on CaBiF6 by Materials Project

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Abstract

CaBiF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca is bonded to six equivalent F atoms to form CaF6 octahedra that share corners with six equivalent BiF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Ca–F bond lengths are 2.28 Å. Bi is bonded to six equivalent F atoms to form BiF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Bi–F bond lengths are 2.17 Å. F is bonded in a bent 150 degrees geometry to one Ca and one Bi atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mvc-13472

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; CaBiF6; Bi-Ca-F

OSTI Identifier:: 1318897

DOI:: https://doi.org/10.17188/1318897

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                    The Materials Project. Materials Data on CaBiF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1318897.

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                    The Materials Project. Materials Data on CaBiF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1318897

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                    The Materials Project. 2020.  
"Materials Data on CaBiF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1318897.  https://www.osti.gov/servlets/purl/1318897. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1318897,

  title        = {Materials Data on CaBiF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaBiF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca is bonded to six equivalent F atoms to form CaF6 octahedra that share corners with six equivalent BiF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Ca–F bond lengths are 2.28 Å. Bi is bonded to six equivalent F atoms to form BiF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Bi–F bond lengths are 2.17 Å. F is bonded in a bent 150 degrees geometry to one Ca and one Bi atom.},

  doi          = {10.17188/1318897},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1318897

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