Materials Data on CsCdF3 by Materials Project

doi:10.17188/1308078

Title: Materials Data on CsCdF3 by Materials Project

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Abstract

CsCdF3 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 CdF6 octahedra. All Cs–F bond lengths are 3.23 Å. Cd2+ is bonded to six equivalent F1- atoms to form CdF6 octahedra that share corners with six equivalent CdF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–F bond lengths are 2.28 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Cd2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-8399

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; CsCdF3; Cd-Cs-F

OSTI Identifier:: 1308078

DOI:: https://doi.org/10.17188/1308078

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                    The Materials Project. Materials Data on CsCdF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1308078.

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                    The Materials Project. Materials Data on CsCdF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1308078

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                    The Materials Project. 2020.  
"Materials Data on CsCdF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1308078.  https://www.osti.gov/servlets/purl/1308078. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1308078,

  title        = {Materials Data on CsCdF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsCdF3 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 CdF6 octahedra. All Cs–F bond lengths are 3.23 Å. Cd2+ is bonded to six equivalent F1- atoms to form CdF6 octahedra that share corners with six equivalent CdF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–F bond lengths are 2.28 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Cd2+ atoms.},

  doi          = {10.17188/1308078},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1308078

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