Materials Data on Cs2KSbI6 by Materials Project

doi:10.17188/1751499

Title: Materials Data on Cs2KSbI6 by Materials Project

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Abstract

Cs2KSbI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, faces with four equivalent KI6 octahedra, and faces with four equivalent SbI6 octahedra. All Cs–I bond lengths are 4.54 Å. K1+ is bonded to six equivalent I1- atoms to form KI6 octahedra that share corners with six equivalent SbI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–I bond lengths are 3.39 Å. Sb3+ is bonded to six equivalent I1- atoms to form SbI6 octahedra that share corners with six equivalent KI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–I bond lengths are 3.03 Å. I1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Sb3+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1112709

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; Cs2KSbI6; Cs-I-K-Sb

OSTI Identifier:: 1751499

DOI:: https://doi.org/10.17188/1751499

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                    The Materials Project. Materials Data on Cs2KSbI6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751499.

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                    The Materials Project. Materials Data on Cs2KSbI6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751499

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                    The Materials Project. 2020.  
"Materials Data on Cs2KSbI6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751499.  https://www.osti.gov/servlets/purl/1751499. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1751499,

  title        = {Materials Data on Cs2KSbI6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2KSbI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, faces with four equivalent KI6 octahedra, and faces with four equivalent SbI6 octahedra. All Cs–I bond lengths are 4.54 Å. K1+ is bonded to six equivalent I1- atoms to form KI6 octahedra that share corners with six equivalent SbI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–I bond lengths are 3.39 Å. Sb3+ is bonded to six equivalent I1- atoms to form SbI6 octahedra that share corners with six equivalent KI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–I bond lengths are 3.03 Å. I1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Sb3+ atom.},

  doi          = {10.17188/1751499},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1751499

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