Materials Data on FeCl4 by Materials Project

doi:10.17188/1686003

Title: Materials Data on FeCl4 by Materials Project

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Abstract

FeCl4 crystallizes in the orthorhombic Imma space group. The structure is one-dimensional and consists of two FeCl4 ribbons oriented in the (1, 0, 0) direction. Fe is bonded to six Cl atoms to form edge-sharing FeCl6 octahedra. There are two shorter (2.17 Å) and four longer (2.31 Å) Fe–Cl bond lengths. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Fe atom. In the second Cl site, Cl is bonded in an L-shaped geometry to two equivalent Fe atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1225059

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; crystal structure; FeCl4

OSTI Identifier:: 1686003

DOI:: https://doi.org/10.17188/1686003

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                    Materials Data on FeCl4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1686003.

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                    Materials Data on FeCl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1686003

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                    2020.  
"Materials Data on FeCl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1686003.  https://www.osti.gov/servlets/purl/1686003. Pub date:Sat May 02 20:00:00 EDT 2020

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@article{osti_1686003,

  title        = {Materials Data on FeCl4 by Materials Project},

  
  abstractNote = {FeCl4 crystallizes in the orthorhombic Imma space group. The structure is one-dimensional and consists of two FeCl4 ribbons oriented in the (1, 0, 0) direction. Fe is bonded to six Cl atoms to form edge-sharing FeCl6 octahedra. There are two shorter (2.17 Å) and four longer (2.31 Å) Fe–Cl bond lengths. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Fe atom. In the second Cl site, Cl is bonded in an L-shaped geometry to two equivalent Fe atoms.},

  doi          = {10.17188/1686003},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1686003

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