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.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1180457

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; MgHg3(Cl4O3)2; Cl-Hg-Mg-O

OSTI Identifier:: 1733050

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

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

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

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                    The Materials Project. 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},

  author       = {The 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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