Materials Data on AlFe4Hg2O2F by Materials Project

doi:10.17188/1718770

Title: Materials Data on AlFe4Hg2O2F by Materials Project

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Abstract

(Fe2HgO)2AlF crystallizes in the tetragonal I4cm space group. The structure is three-dimensional and consists of two AlF ribbons oriented in the (0, 0, 1) direction and one Fe2HgO framework. In each AlF ribbon, Al is bonded in a linear geometry to two equivalent F atoms. There is one shorter (1.83 Å) and one longer (1.97 Å) Al–F bond length. F is bonded in a linear geometry to two equivalent Al atoms. In the Fe2HgO framework, Fe is bonded in a single-bond geometry to two equivalent Hg and one O atom. There are one shorter (2.98 Å) and one longer (3.08 Å) Fe–Hg bond lengths. The Fe–O bond length is 1.85 Å. Hg is bonded in a 5-coordinate geometry to four equivalent Fe and one O atom. The Hg–O bond length is 2.76 Å. O is bonded in a bent 120 degrees geometry to two equivalent Fe and one Hg atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1214999

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; AlFe4Hg2O2F; Al-F-Fe-Hg-O

OSTI Identifier:: 1718770

DOI:: https://doi.org/10.17188/1718770

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                    The Materials Project. Materials Data on AlFe4Hg2O2F by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1718770.

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                    The Materials Project. Materials Data on AlFe4Hg2O2F by Materials Project.  United States.  doi:https://doi.org/10.17188/1718770

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                    The Materials Project. 2019.  
"Materials Data on AlFe4Hg2O2F by Materials Project".  United States.  doi:https://doi.org/10.17188/1718770.  https://www.osti.gov/servlets/purl/1718770. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1718770,

  title        = {Materials Data on AlFe4Hg2O2F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Fe2HgO)2AlF crystallizes in the tetragonal I4cm space group. The structure is three-dimensional and consists of two AlF ribbons oriented in the (0, 0, 1) direction and one Fe2HgO framework. In each AlF ribbon, Al is bonded in a linear geometry to two equivalent F atoms. There is one shorter (1.83 Å) and one longer (1.97 Å) Al–F bond length. F is bonded in a linear geometry to two equivalent Al atoms. In the Fe2HgO framework, Fe is bonded in a single-bond geometry to two equivalent Hg and one O atom. There are one shorter (2.98 Å) and one longer (3.08 Å) Fe–Hg bond lengths. The Fe–O bond length is 1.85 Å. Hg is bonded in a 5-coordinate geometry to four equivalent Fe and one O atom. The Hg–O bond length is 2.76 Å. O is bonded in a bent 120 degrees geometry to two equivalent Fe and one Hg atom.},

  doi          = {10.17188/1718770},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1718770

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