Materials Data on CsFeF3 by Materials Project

doi:10.17188/1270454

Title: Materials Data on CsFeF3 by Materials Project

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Abstract

CsFeF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with eight equivalent FeF6 octahedra. All Cs–F bond lengths are 3.05 Å. Fe2+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent FeF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 2.16 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Fe2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-08-03

Other Number(s):: mp-558694

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; CsFeF3; Cs-F-Fe

OSTI Identifier:: 1270454

DOI:: https://doi.org/10.17188/1270454

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                    The Materials Project. Materials Data on CsFeF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270454.

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                    The Materials Project. Materials Data on CsFeF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270454

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                    The Materials Project. 2020.  
"Materials Data on CsFeF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270454.  https://www.osti.gov/servlets/purl/1270454. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1270454,

  title        = {Materials Data on CsFeF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsFeF3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, and faces with eight equivalent FeF6 octahedra. All Cs–F bond lengths are 3.05 Å. Fe2+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent FeF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 2.16 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Fe2+ atoms.},

  doi          = {10.17188/1270454},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1270454

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