Materials Data on Cs2KYbCl6 by Materials Project

doi:10.17188/1680307

Title: Materials Data on Cs2KYbCl6 by Materials Project

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Abstract

Cs2KYbCl6 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 Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent KCl6 octahedra, and faces with four equivalent YbCl6 octahedra. All Cs–Cl bond lengths are 4.04 Å. K1+ is bonded to six equivalent Cl1- atoms to form KCl6 octahedra that share corners with six equivalent YbCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–Cl bond lengths are 3.03 Å. Yb3+ is bonded to six equivalent Cl1- atoms to form YbCl6 octahedra that share corners with six equivalent KCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–Cl bond lengths are 2.68 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Yb3+ atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1206442

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; Cs2KYbCl6; Cl-Cs-K-Yb

OSTI Identifier:: 1680307

DOI:: https://doi.org/10.17188/1680307

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                    The Materials Project. Materials Data on Cs2KYbCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680307.

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                    The Materials Project. Materials Data on Cs2KYbCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680307

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                    The Materials Project. 2020.  
"Materials Data on Cs2KYbCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680307.  https://www.osti.gov/servlets/purl/1680307. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1680307,

  title        = {Materials Data on Cs2KYbCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2KYbCl6 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 Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent KCl6 octahedra, and faces with four equivalent YbCl6 octahedra. All Cs–Cl bond lengths are 4.04 Å. K1+ is bonded to six equivalent Cl1- atoms to form KCl6 octahedra that share corners with six equivalent YbCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–Cl bond lengths are 3.03 Å. Yb3+ is bonded to six equivalent Cl1- atoms to form YbCl6 octahedra that share corners with six equivalent KCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–Cl bond lengths are 2.68 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Yb3+ atom.},

  doi          = {10.17188/1680307},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1680307

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