Materials Data on FeH36C12S6(BrO2)3 by Materials Project

doi:10.17188/1734098

Title: Materials Data on FeH36C12S6(BrO2)3 by Materials Project

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Abstract

Fe(SO)6(CH3)12(Br)3 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of nine hydrobromic acid molecules, thirty-six methane molecules, and three Fe(SO)6 clusters. In each Fe(SO)6 cluster, Fe3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Fe–O bond lengths are 2.03 Å. S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.56 Å. O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one S2- atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1182632

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; FeH36C12S6(BrO2)3; Br-C-Fe-H-O-S

OSTI Identifier:: 1734098

DOI:: https://doi.org/10.17188/1734098

Citation Formats


                    The Materials Project. Materials Data on FeH36C12S6(BrO2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1734098.

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                    The Materials Project. Materials Data on FeH36C12S6(BrO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1734098

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                    The Materials Project. 2020.  
"Materials Data on FeH36C12S6(BrO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1734098.  https://www.osti.gov/servlets/purl/1734098. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1734098,

  title        = {Materials Data on FeH36C12S6(BrO2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe(SO)6(CH3)12(Br)3 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of nine hydrobromic acid molecules, thirty-six methane molecules, and three Fe(SO)6 clusters. In each Fe(SO)6 cluster, Fe3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Fe–O bond lengths are 2.03 Å. S2- is bonded in a distorted single-bond geometry to one O2- atom. The S–O bond length is 1.56 Å. O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one S2- atom.},

  doi          = {10.17188/1734098},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1734098

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