Materials Data on CsK2AsCl6 by Materials Project

doi:10.17188/1743981

Title: Materials Data on CsK2AsCl6 by Materials Project

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Abstract

(K)2CsAsCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsAsCl6 framework. In the CsAsCl6 framework, Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent AsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.22 Å. As3+ is bonded to six equivalent Cl1- atoms to form AsCl6 octahedra that share corners with six equivalent CsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–Cl bond lengths are 2.51 Å. Cl1- is bonded in a linear geometry to one Cs1+ and one As3+ atom.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1112054

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; CsK2AsCl6; As-Cl-Cs-K

OSTI Identifier:: 1743981

DOI:: https://doi.org/10.17188/1743981

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                    The Materials Project. Materials Data on CsK2AsCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743981.

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                    The Materials Project. Materials Data on CsK2AsCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1743981

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                    The Materials Project. 2020.  
"Materials Data on CsK2AsCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1743981.  https://www.osti.gov/servlets/purl/1743981. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1743981,

  title        = {Materials Data on CsK2AsCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(K)2CsAsCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one CsAsCl6 framework. In the CsAsCl6 framework, Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent AsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.22 Å. As3+ is bonded to six equivalent Cl1- atoms to form AsCl6 octahedra that share corners with six equivalent CsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–Cl bond lengths are 2.51 Å. Cl1- is bonded in a linear geometry to one Cs1+ and one As3+ atom.},

  doi          = {10.17188/1743981},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1743981

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