Materials Data on MgHg3(Cl4O3)2 by Materials Project

doi:10.17188/1733050

Title: Materials Data on MgHg3(Cl4O3)2 by Materials Project

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Abstract

Mg(O3Cl)2(HgCl2)3 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of three mercuric chloride molecules and one Mg(O3Cl)2 ribbon oriented in the (1, 0, 0) direction. In the Mg(O3Cl)2 ribbon, Mg is bonded in an octahedral geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.09–2.16 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mg atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.88 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.63 Å. Cl is bonded in a linear geometry to two O atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1180457

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-Hg-Mg-O; MgHg3(Cl4O3)2; crystal structure

OSTI Identifier:: 1733050

DOI:: https://doi.org/10.17188/1733050

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                    Materials Data on MgHg3(Cl4O3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1733050.

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                    Materials Data on MgHg3(Cl4O3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1733050

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                    2020.  
"Materials Data on MgHg3(Cl4O3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1733050.  https://www.osti.gov/servlets/purl/1733050. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1733050,

  title        = {Materials Data on MgHg3(Cl4O3)2 by Materials Project},

  
  abstractNote = {Mg(O3Cl)2(HgCl2)3 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of three mercuric chloride molecules and one Mg(O3Cl)2 ribbon oriented in the (1, 0, 0) direction. In the Mg(O3Cl)2 ribbon, Mg is bonded in an octahedral geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.09–2.16 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mg atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.88 Å. In the third O site, O is bonded in a bent 150 degrees geometry to one Mg and one Cl atom. The O–Cl bond length is 1.63 Å. Cl is bonded in a linear geometry to two O atoms.},

  doi          = {10.17188/1733050},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1733050

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