Materials Data on Hg6Cl3O2 by Materials Project

doi:10.17188/1270248

Title: Materials Data on Hg6Cl3O2 by Materials Project

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Abstract

Hg6O2Cl3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Hg+1.17+ is bonded in a distorted single-bond geometry to one O2- and three equivalent Cl1- atoms. The Hg–O bond length is 2.17 Å. There are a spread of Hg–Cl bond distances ranging from 3.04–3.19 Å. O2- is bonded in a distorted trigonal planar geometry to three equivalent Hg+1.17+ atoms. Cl1- is bonded to six equivalent Hg+1.17+ atoms to form a mixture of distorted edge and corner-sharing ClHg6 octahedra. The corner-sharing octahedral tilt angles are 36°.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-558260

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; Hg6Cl3O2; Cl-Hg-O

OSTI Identifier:: 1270248

DOI:: https://doi.org/10.17188/1270248

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                    The Materials Project. Materials Data on Hg6Cl3O2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270248.

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                    The Materials Project. Materials Data on Hg6Cl3O2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270248

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                    The Materials Project. 2020.  
"Materials Data on Hg6Cl3O2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270248.  https://www.osti.gov/servlets/purl/1270248. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1270248,

  title        = {Materials Data on Hg6Cl3O2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hg6O2Cl3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Hg+1.17+ is bonded in a distorted single-bond geometry to one O2- and three equivalent Cl1- atoms. The Hg–O bond length is 2.17 Å. There are a spread of Hg–Cl bond distances ranging from 3.04–3.19 Å. O2- is bonded in a distorted trigonal planar geometry to three equivalent Hg+1.17+ atoms. Cl1- is bonded to six equivalent Hg+1.17+ atoms to form a mixture of distorted edge and corner-sharing ClHg6 octahedra. The corner-sharing octahedral tilt angles are 36°.},

  doi          = {10.17188/1270248},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270248

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