Materials Data on Cs2PbClF6 by Materials Project

doi:10.17188/1316848

Title: Materials Data on Cs2PbClF6 by Materials Project

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Abstract

(Cs2PbF6)2Cl2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrochloric acid molecules and one Cs2PbF6 framework. In the Cs2PbF6 framework, Cs is bonded to twelve equivalent F atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with four equivalent PbF6 octahedra. All Cs–F bond lengths are 3.54 Å. Pb is bonded to six equivalent F atoms to form PbF6 octahedra that share faces with eight equivalent CsF12 cuboctahedra. All Pb–F bond lengths are 2.12 Å. F is bonded in a single-bond geometry to four equivalent Cs and one Pb atom.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-989549

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; Cs2PbClF6; Cl-Cs-F-Pb

OSTI Identifier:: 1316848

DOI:: https://doi.org/10.17188/1316848

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                    The Materials Project. Materials Data on Cs2PbClF6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316848.

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                    The Materials Project. Materials Data on Cs2PbClF6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316848

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                    The Materials Project. 2020.  
"Materials Data on Cs2PbClF6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316848.  https://www.osti.gov/servlets/purl/1316848. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1316848,

  title        = {Materials Data on Cs2PbClF6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Cs2PbF6)2Cl2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrochloric acid molecules and one Cs2PbF6 framework. In the Cs2PbF6 framework, Cs is bonded to twelve equivalent F atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with four equivalent PbF6 octahedra. All Cs–F bond lengths are 3.54 Å. Pb is bonded to six equivalent F atoms to form PbF6 octahedra that share faces with eight equivalent CsF12 cuboctahedra. All Pb–F bond lengths are 2.12 Å. F is bonded in a single-bond geometry to four equivalent Cs and one Pb atom.},

  doi          = {10.17188/1316848},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316848

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