Materials Data on Fe2ClO3 by Materials Project

doi:10.17188/1678681

Title: Materials Data on Fe2ClO3 by Materials Project

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Abstract

Fe2O3Cl crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent O atoms to form edge-sharing FeO6 octahedra. All Fe–O bond lengths are 2.03 Å. In the second Fe site, Fe is bonded to four equivalent O and two equivalent Cl atoms to form distorted edge-sharing FeCl2O4 octahedra. All Fe–O bond lengths are 1.97 Å. Both Fe–Cl bond lengths are 2.51 Å. O is bonded in a trigonal non-coplanar geometry to three Fe atoms. Cl is bonded in a 3-coordinate geometry to three equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1103030

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; Fe2ClO3; Cl-Fe-O

OSTI Identifier:: 1678681

DOI:: https://doi.org/10.17188/1678681

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                    The Materials Project. Materials Data on Fe2ClO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678681.

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                    The Materials Project. Materials Data on Fe2ClO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678681

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                    The Materials Project. 2020.  
"Materials Data on Fe2ClO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678681.  https://www.osti.gov/servlets/purl/1678681. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1678681,

  title        = {Materials Data on Fe2ClO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe2O3Cl crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent O atoms to form edge-sharing FeO6 octahedra. All Fe–O bond lengths are 2.03 Å. In the second Fe site, Fe is bonded to four equivalent O and two equivalent Cl atoms to form distorted edge-sharing FeCl2O4 octahedra. All Fe–O bond lengths are 1.97 Å. Both Fe–Cl bond lengths are 2.51 Å. O is bonded in a trigonal non-coplanar geometry to three Fe atoms. Cl is bonded in a 3-coordinate geometry to three equivalent Fe atoms.},

  doi          = {10.17188/1678681},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1678681

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