Materials Data on Cs2LiPrI6 by Materials Project

doi:10.17188/1725043

Title: Materials Data on Cs2LiPrI6 by Materials Project

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Abstract

Cs2LiPrI6 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 LiI6 octahedra, and faces with four equivalent PrI6 octahedra. All Cs–I bond lengths are 4.34 Å. Li1+ is bonded to six equivalent I1- atoms to form LiI6 octahedra that share corners with six equivalent PrI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–I bond lengths are 3.01 Å. Pr3+ is bonded to six equivalent I1- atoms to form PrI6 octahedra that share corners with six equivalent LiI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–I bond lengths are 3.13 Å. I1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Li1+, and one Pr3+ atom.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1113008

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; Cs2LiPrI6; Cs-I-Li-Pr

OSTI Identifier:: 1725043

DOI:: https://doi.org/10.17188/1725043

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                    The Materials Project. Materials Data on Cs2LiPrI6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1725043.

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                    The Materials Project. Materials Data on Cs2LiPrI6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1725043

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                    The Materials Project. 2020.  
"Materials Data on Cs2LiPrI6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1725043.  https://www.osti.gov/servlets/purl/1725043. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1725043,

  title        = {Materials Data on Cs2LiPrI6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2LiPrI6 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 LiI6 octahedra, and faces with four equivalent PrI6 octahedra. All Cs–I bond lengths are 4.34 Å. Li1+ is bonded to six equivalent I1- atoms to form LiI6 octahedra that share corners with six equivalent PrI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–I bond lengths are 3.01 Å. Pr3+ is bonded to six equivalent I1- atoms to form PrI6 octahedra that share corners with six equivalent LiI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–I bond lengths are 3.13 Å. I1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Li1+, and one Pr3+ atom.},

  doi          = {10.17188/1725043},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1725043

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