Materials Data on Cs3Li2Cl5 by Materials Project

doi:10.17188/1275890

Title: Materials Data on Cs3Li2Cl5 by Materials Project

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Abstract

Cs3Li2Cl5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.54–3.73 Å. In the second Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.58–3.71 Å. Li1+ is bonded to four Cl1- atoms to form corner-sharing LiCl4 tetrahedra. There are a spread of Li–Cl bond distances ranging from 2.36–2.44 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs1+ and three equivalent Li1+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to six Cs1+ and one Li1+ atom. In the third Cl1- site, Cl1- is bonded in a body-centered cubic geometry to eight Cs1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-570756

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; Cs3Li2Cl5; Cl-Cs-Li

OSTI Identifier:: 1275890

DOI:: https://doi.org/10.17188/1275890

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                    The Materials Project. Materials Data on Cs3Li2Cl5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275890.

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                    The Materials Project. Materials Data on Cs3Li2Cl5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1275890

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                    The Materials Project. 2020.  
"Materials Data on Cs3Li2Cl5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1275890.  https://www.osti.gov/servlets/purl/1275890. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1275890,

  title        = {Materials Data on Cs3Li2Cl5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs3Li2Cl5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.54–3.73 Å. In the second Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.58–3.71 Å. Li1+ is bonded to four Cl1- atoms to form corner-sharing LiCl4 tetrahedra. There are a spread of Li–Cl bond distances ranging from 2.36–2.44 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs1+ and three equivalent Li1+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to six Cs1+ and one Li1+ atom. In the third Cl1- site, Cl1- is bonded in a body-centered cubic geometry to eight Cs1+ atoms.},

  doi          = {10.17188/1275890},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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