Materials Data on BaHgO2 by Materials Project

doi:10.17188/1269181

Title: Materials Data on BaHgO2 by Materials Project

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Abstract

HgBaO2 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.71 Å) and three longer (2.80 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.71 Å. Hg2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.02 Å. O2- is bonded in a 4-coordinate geometry to three Ba2+ and one Hg2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-556118

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; BaHgO2; Ba-Hg-O

OSTI Identifier:: 1269181

DOI:: https://doi.org/10.17188/1269181

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                    The Materials Project. Materials Data on BaHgO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269181.

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                    The Materials Project. Materials Data on BaHgO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269181

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                    The Materials Project. 2020.  
"Materials Data on BaHgO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269181.  https://www.osti.gov/servlets/purl/1269181. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1269181,

  title        = {Materials Data on BaHgO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HgBaO2 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.71 Å) and three longer (2.80 Å) Ba–O bond lengths. In the second Ba2+ site, Ba2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.71 Å. Hg2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.02 Å. O2- is bonded in a 4-coordinate geometry to three Ba2+ and one Hg2+ atom.},

  doi          = {10.17188/1269181},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1269181

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