Materials Data on Cs2PrF6 by Materials Project

doi:10.17188/1716941

Title: Materials Data on Cs2PrF6 by Materials Project

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Abstract

Cs2PrF6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (3.00 Å) and six longer (3.16 Å) Cs–F bond lengths. Pr4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.39 Å) and six longer (2.50 Å) Pr–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Cs1+ and two equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing FCs2Pr2 tetrahedra. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Pr4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1207345

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; Cs2PrF6; Cs-F-Pr

OSTI Identifier:: 1716941

DOI:: https://doi.org/10.17188/1716941

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                    The Materials Project. Materials Data on Cs2PrF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1716941.

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                    The Materials Project. Materials Data on Cs2PrF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1716941

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                    The Materials Project. 2020.  
"Materials Data on Cs2PrF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1716941.  https://www.osti.gov/servlets/purl/1716941. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1716941,

  title        = {Materials Data on Cs2PrF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2PrF6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (3.00 Å) and six longer (3.16 Å) Cs–F bond lengths. Pr4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.39 Å) and six longer (2.50 Å) Pr–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Cs1+ and two equivalent Pr4+ atoms to form a mixture of distorted edge and corner-sharing FCs2Pr2 tetrahedra. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Pr4+ atom.},

  doi          = {10.17188/1716941},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1716941

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