Materials Data on HgH12(ClO7)2 by Materials Project

doi:10.17188/1279467

Title: Materials Data on HgH12(ClO7)2 by Materials Project

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Abstract

Hg(H2O)6(ClO4)2 crystallizes in the trigonal P-3m1 space group. The structure is zero-dimensional and consists of two ClO4 clusters and one Hg(H2O)6 cluster. In each ClO4 cluster, there are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In the Hg(H2O)6 cluster, Hg is bonded in an octahedral geometry to six equivalent O atoms. All Hg–O bond lengths are 2.40 Å. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. O is bonded in a distorted water-like geometry to one Hg and two equivalent H atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-634466

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; HgH12(ClO7)2; Cl-H-Hg-O

OSTI Identifier:: 1279467

DOI:: https://doi.org/10.17188/1279467

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                    The Materials Project. Materials Data on HgH12(ClO7)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279467.

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                    The Materials Project. Materials Data on HgH12(ClO7)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279467

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                    The Materials Project. 2020.  
"Materials Data on HgH12(ClO7)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279467.  https://www.osti.gov/servlets/purl/1279467. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1279467,

  title        = {Materials Data on HgH12(ClO7)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hg(H2O)6(ClO4)2 crystallizes in the trigonal P-3m1 space group. The structure is zero-dimensional and consists of two ClO4 clusters and one Hg(H2O)6 cluster. In each ClO4 cluster, there are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.45 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In the Hg(H2O)6 cluster, Hg is bonded in an octahedral geometry to six equivalent O atoms. All Hg–O bond lengths are 2.40 Å. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. O is bonded in a distorted water-like geometry to one Hg and two equivalent H atoms.},

  doi          = {10.17188/1279467},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279467

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