Materials Data on CaPdF6 by Materials Project

doi:10.17188/1307825

Title: Materials Data on CaPdF6 by Materials Project

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Abstract

CaPdF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent F1- atoms to form CaF6 octahedra that share corners with six equivalent PdF6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Ca–F bond lengths are 2.30 Å. Pd4+ is bonded to six equivalent F1- atoms to form PdF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Pd–F bond lengths are 1.95 Å. F1- is bonded in a distorted bent 150 degrees geometry to one Ca2+ and one Pd4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-7922

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; CaPdF6; Ca-F-Pd

OSTI Identifier:: 1307825

DOI:: https://doi.org/10.17188/1307825

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                    The Materials Project. Materials Data on CaPdF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1307825.

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                    The Materials Project. Materials Data on CaPdF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1307825

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                    The Materials Project. 2020.  
"Materials Data on CaPdF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1307825.  https://www.osti.gov/servlets/purl/1307825. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1307825,

  title        = {Materials Data on CaPdF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaPdF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent F1- atoms to form CaF6 octahedra that share corners with six equivalent PdF6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Ca–F bond lengths are 2.30 Å. Pd4+ is bonded to six equivalent F1- atoms to form PdF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 43°. All Pd–F bond lengths are 1.95 Å. F1- is bonded in a distorted bent 150 degrees geometry to one Ca2+ and one Pd4+ atom.},

  doi          = {10.17188/1307825},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1307825

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