Materials Data on RbFeCl4 by Materials Project

doi:10.17188/1262152

Title: Materials Data on RbFeCl4 by Materials Project

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Abstract

RbFeCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.43–3.99 Å. Fe3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.20 Å) and two longer (2.22 Å) Fe–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Fe3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted linear geometry to one Rb1+ and one Fe3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Fe3+ atom.

Publication Date:: 2020-08-02

Other Number(s):: mp-504968

DOE Contract Number:: AC02-05CH11231;

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-Fe-Rb; crystal structure; RbFeCl4

OSTI Identifier:: 1262152

DOI:: https://doi.org/10.17188/1262152

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                    Materials Data on RbFeCl4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262152.

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                    Materials Data on RbFeCl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262152

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                    2020.  
"Materials Data on RbFeCl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262152.  https://www.osti.gov/servlets/purl/1262152. Pub date:Sun Aug 02 20:00:00 EDT 2020

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@article{osti_1262152,

  title        = {Materials Data on RbFeCl4 by Materials Project},

  
  abstractNote = {RbFeCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.43–3.99 Å. Fe3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are two shorter (2.20 Å) and two longer (2.22 Å) Fe–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Fe3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted linear geometry to one Rb1+ and one Fe3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Fe3+ atom.},

  doi          = {10.17188/1262152},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1262152

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