Materials Data on CsI4 by Materials Project

doi:10.17188/1276051

Title: Materials Data on CsI4 by Materials Project

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Abstract

CsI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to ten I atoms. There are a spread of Cs–I bond distances ranging from 3.99–4.49 Å. There are four inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent Cs and two I atoms. There are one shorter (2.85 Å) and one longer (3.34 Å) I–I bond lengths. In the second I site, I is bonded to three equivalent Cs and two I atoms to form a mixture of distorted edge and corner-sharing ICs3I2 trigonal bipyramids. The I–I bond length is 3.02 Å. In the third I site, I is bonded in a 3-coordinate geometry to one Cs and two I atoms. The I–I bond length is 2.90 Å. In the fourth I site, I is bonded in a 4-coordinate geometry to three equivalent Cs and one I atom.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-571011

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; CsI4; Cs-I

OSTI Identifier:: 1276051

DOI:: https://doi.org/10.17188/1276051

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                    The Materials Project. Materials Data on CsI4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276051.

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                    The Materials Project. Materials Data on CsI4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276051

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                    The Materials Project. 2020.  
"Materials Data on CsI4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276051.  https://www.osti.gov/servlets/purl/1276051. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1276051,

  title        = {Materials Data on CsI4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs is bonded in a 9-coordinate geometry to ten I atoms. There are a spread of Cs–I bond distances ranging from 3.99–4.49 Å. There are four inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to three equivalent Cs and two I atoms. There are one shorter (2.85 Å) and one longer (3.34 Å) I–I bond lengths. In the second I site, I is bonded to three equivalent Cs and two I atoms to form a mixture of distorted edge and corner-sharing ICs3I2 trigonal bipyramids. The I–I bond length is 3.02 Å. In the third I site, I is bonded in a 3-coordinate geometry to one Cs and two I atoms. The I–I bond length is 2.90 Å. In the fourth I site, I is bonded in a 4-coordinate geometry to three equivalent Cs and one I atom.},

  doi          = {10.17188/1276051},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1276051

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