Materials Data on Hg3AsBrO4 by Materials Project

doi:10.17188/1270569

Title: Materials Data on Hg3AsBrO4 by Materials Project

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Abstract

Hg3AsO4Br crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Hg2+ is bonded in a 2-coordinate geometry to three O2- and one Br1- atom. There are a spread of Hg–O bond distances ranging from 2.29–2.77 Å. The Hg–Br bond length is 2.95 Å. As3+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.71 Å) and three longer (1.75 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one As3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one As3+ atom. Br1- is bonded in a 3-coordinate geometry to three equivalent Hg2+ atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-558945

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; Hg3AsBrO4; As-Br-Hg-O

OSTI Identifier:: 1270569

DOI:: https://doi.org/10.17188/1270569

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                    The Materials Project. Materials Data on Hg3AsBrO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1270569.

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                    The Materials Project. Materials Data on Hg3AsBrO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1270569

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                    The Materials Project. 2020.  
"Materials Data on Hg3AsBrO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1270569.  https://www.osti.gov/servlets/purl/1270569. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1270569,

  title        = {Materials Data on Hg3AsBrO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hg3AsO4Br crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Hg2+ is bonded in a 2-coordinate geometry to three O2- and one Br1- atom. There are a spread of Hg–O bond distances ranging from 2.29–2.77 Å. The Hg–Br bond length is 2.95 Å. As3+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.71 Å) and three longer (1.75 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one As3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one As3+ atom. Br1- is bonded in a 3-coordinate geometry to three equivalent Hg2+ atoms.},

  doi          = {10.17188/1270569},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1270569

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