Materials Data on FeCl3 by Materials Project

doi:10.17188/1277058

Title: Materials Data on FeCl3 by Materials Project

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Abstract

FeCl3 is Aluminum trichloride-like structured and crystallizes in the trigonal P312 space group. The structure is two-dimensional and consists of three FeCl3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six Cl1- atoms to form edge-sharing FeCl6 octahedra. There are three shorter (2.39 Å) and three longer (2.42 Å) Fe–Cl bond lengths. In the second Fe3+ site, Fe3+ is bonded to six Cl1- atoms to form edge-sharing FeCl6 octahedra. There are three shorter (2.39 Å) and three longer (2.41 Å) Fe–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Fe3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Fe3+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-583463

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:: 1277058

DOI:: https://doi.org/10.17188/1277058

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                    The Materials Project. Materials Data on FeCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277058.

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                    The Materials Project. Materials Data on FeCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1277058

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                    The Materials Project. 2020.  
"Materials Data on FeCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1277058.  https://www.osti.gov/servlets/purl/1277058. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1277058,

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

  author       = {The Materials Project},

  abstractNote = {FeCl3 is Aluminum trichloride-like structured and crystallizes in the trigonal P312 space group. The structure is two-dimensional and consists of three FeCl3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six Cl1- atoms to form edge-sharing FeCl6 octahedra. There are three shorter (2.39 Å) and three longer (2.42 Å) Fe–Cl bond lengths. In the second Fe3+ site, Fe3+ is bonded to six Cl1- atoms to form edge-sharing FeCl6 octahedra. There are three shorter (2.39 Å) and three longer (2.41 Å) Fe–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Fe3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Fe3+ atoms.},

  doi          = {10.17188/1277058},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277058

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