Materials Data on CsLiCl2 by Materials Project

doi:10.17188/1744424

Title: Materials Data on CsLiCl2 by Materials Project

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Abstract

LiClCsCl crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.54–3.86 Å. Li1+ is bonded to four Cl1- atoms to form a mixture of corner and edge-sharing LiCl4 tetrahedra. There are a spread of Li–Cl bond distances ranging from 2.33–2.40 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to four equivalent Cs1+ and two equivalent Li1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four equivalent Cs1+ and two equivalent Li1+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Li1+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 09 00:00:00 EDT 2020

Other Number(s):: mp-1188344

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; CsLiCl2; Cl-Cs-Li

OSTI Identifier:: 1744424

DOI:: https://doi.org/10.17188/1744424

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                    The Materials Project. Materials Data on CsLiCl2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1744424.

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                    The Materials Project. Materials Data on CsLiCl2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1744424

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                    The Materials Project. 2020.  
"Materials Data on CsLiCl2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1744424.  https://www.osti.gov/servlets/purl/1744424. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1744424,

  title        = {Materials Data on CsLiCl2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiClCsCl crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.54–3.86 Å. Li1+ is bonded to four Cl1- atoms to form a mixture of corner and edge-sharing LiCl4 tetrahedra. There are a spread of Li–Cl bond distances ranging from 2.33–2.40 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to four equivalent Cs1+ and two equivalent Li1+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to four equivalent Cs1+ and two equivalent Li1+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Li1+ atoms.},

  doi          = {10.17188/1744424},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 09 00:00:00 EDT 2020},

  month        = {Sat May 09 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1744424

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