Materials Data on Ca(HgO2)3 by Materials Project

doi:10.17188/1706752

Title: Materials Data on Ca(HgO2)3 by Materials Project

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Abstract

Ca(HgO2)2HgO2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two mercury molecules; four water molecules; and one Ca(HgO2)2 sheet oriented in the (0, 0, 1) direction. In the Ca(HgO2)2 sheet, Ca is bonded in a distorted square co-planar geometry to four equivalent O atoms. All Ca–O bond lengths are 2.21 Å. Hg is bonded in a linear geometry to two equivalent O atoms. Both Hg–O bond lengths are 1.94 Å. O is bonded in a linear geometry to one Ca and one Hg atom.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1207338

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; Ca(HgO2)3; Ca-Hg-O

OSTI Identifier:: 1706752

DOI:: https://doi.org/10.17188/1706752

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                    The Materials Project. Materials Data on Ca(HgO2)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1706752.

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                    The Materials Project. Materials Data on Ca(HgO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1706752

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                    The Materials Project. 2019.  
"Materials Data on Ca(HgO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1706752.  https://www.osti.gov/servlets/purl/1706752. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1706752,

  title        = {Materials Data on Ca(HgO2)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca(HgO2)2HgO2 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two mercury molecules; four water molecules; and one Ca(HgO2)2 sheet oriented in the (0, 0, 1) direction. In the Ca(HgO2)2 sheet, Ca is bonded in a distorted square co-planar geometry to four equivalent O atoms. All Ca–O bond lengths are 2.21 Å. Hg is bonded in a linear geometry to two equivalent O atoms. Both Hg–O bond lengths are 1.94 Å. O is bonded in a linear geometry to one Ca and one Hg atom.},

  doi          = {10.17188/1706752},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1706752

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