Materials Data on CsFeI4 by Materials Project

doi:10.17188/1274551

Title: Materials Data on CsFeI4 by Materials Project

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Abstract

CsFeI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 11-coordinate geometry to eleven I1- atoms. There are a spread of Cs–I bond distances ranging from 4.10–4.64 Å. Fe3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Fe–I bond distances ranging from 2.54–2.58 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Fe3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Fe3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to three equivalent Cs1+ and one Fe3+ atom. In the fourth I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Fe3+ atom.

Authors:: The Materials Project

Publication Date:: Mon Aug 03 00:00:00 EDT 2020

Other Number(s):: mp-568620

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; CsFeI4; Cs-Fe-I

OSTI Identifier:: 1274551

DOI:: https://doi.org/10.17188/1274551

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                    The Materials Project. Materials Data on CsFeI4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274551.

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                    The Materials Project. Materials Data on CsFeI4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274551

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                    The Materials Project. 2020.  
"Materials Data on CsFeI4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274551.  https://www.osti.gov/servlets/purl/1274551. Pub date:Mon Aug 03 00:00:00 EDT 2020

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@article{osti_1274551,

  title        = {Materials Data on CsFeI4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsFeI4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs1+ is bonded in a 11-coordinate geometry to eleven I1- atoms. There are a spread of Cs–I bond distances ranging from 4.10–4.64 Å. Fe3+ is bonded in a tetrahedral geometry to four I1- atoms. There are a spread of Fe–I bond distances ranging from 2.54–2.58 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Fe3+ atom. In the second I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Fe3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to three equivalent Cs1+ and one Fe3+ atom. In the fourth I1- site, I1- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Fe3+ atom.},

  doi          = {10.17188/1274551},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Aug 03 00:00:00 EDT 2020},

  month        = {Mon Aug 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1274551

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