Materials Data on FeCl3 by Materials Project

doi:10.17188/1282970

Title: Materials Data on FeCl3 by Materials Project

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Abstract

FeCl3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two FeCl3 ribbons oriented in the (1, 0, 0) direction. Fe3+ is bonded to four Cl1- atoms to form corner-sharing FeCl4 tetrahedra. There are a spread of Fe–Cl bond distances ranging from 2.14–2.36 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Fe3+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-676241

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; FeCl3; Cl-Fe

OSTI Identifier:: 1282970

DOI:: https://doi.org/10.17188/1282970

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                    The Materials Project. Materials Data on FeCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282970.

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                    The Materials Project. Materials Data on FeCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282970

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                    The Materials Project. 2020.  
"Materials Data on FeCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282970.  https://www.osti.gov/servlets/purl/1282970. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1282970,

  title        = {Materials Data on FeCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeCl3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two FeCl3 ribbons oriented in the (1, 0, 0) direction. Fe3+ is bonded to four Cl1- atoms to form corner-sharing FeCl4 tetrahedra. There are a spread of Fe–Cl bond distances ranging from 2.14–2.36 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Fe3+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom.},

  doi          = {10.17188/1282970},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1282970

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