Materials Data on Hg(ClO3)2 by Materials Project

doi:10.17188/1291742

Title: Materials Data on Hg(ClO3)2 by Materials Project

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Abstract

Hg(O3Cl)2 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two Hg(O3Cl)2 ribbons oriented in the (0, 1, 0) direction. Hg is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Hg–O bond distances ranging from 2.25–2.54 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted L-shaped geometry to one Hg and one Cl atom. The O–Cl bond length is 1.50 Å. In the second O site, O is bonded in a water-like geometry to one Hg and one Cl atom. The O–Cl bond length is 1.56 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Hg and one Cl atom. The O–Cl bond length is 1.60 Å. In the fourth O site, O is bonded in a water-like geometry to one Hg and one Cl atom. The O–Cl bond length is 1.50 Å. In the fifth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.49 Å. In the sixth O site, O is bonded in a single-bond geometry to one Cl atom.more »« less

Publication Date:: Sat May 02 04:00:00 UTC 2020

Other Number(s):: mp-761037

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-Hg-O; Hg(ClO3)2; crystal structure

OSTI Identifier:: 1291742

DOI:: https://doi.org/10.17188/1291742

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                    Materials Data on Hg(ClO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291742.

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                    Materials Data on Hg(ClO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1291742

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                    2020.  
"Materials Data on Hg(ClO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1291742.  https://www.osti.gov/servlets/purl/1291742. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1291742,

  title        = {Materials Data on Hg(ClO3)2 by Materials Project},

  
  abstractNote = {Hg(O3Cl)2 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two Hg(O3Cl)2 ribbons oriented in the (0, 1, 0) direction. Hg is bonded in a 4-coordinate geometry to four O atoms. There are a spread of Hg–O bond distances ranging from 2.25–2.54 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted L-shaped geometry to one Hg and one Cl atom. The O–Cl bond length is 1.50 Å. In the second O site, O is bonded in a water-like geometry to one Hg and one Cl atom. The O–Cl bond length is 1.56 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Hg and one Cl atom. The O–Cl bond length is 1.60 Å. In the fourth O site, O is bonded in a water-like geometry to one Hg and one Cl atom. The O–Cl bond length is 1.50 Å. In the fifth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.49 Å. In the sixth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.48 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a trigonal non-coplanar geometry to three O atoms. In the second Cl site, Cl is bonded in a trigonal non-coplanar geometry to three O atoms.},

  doi          = {10.17188/1291742},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 04:00:00 UTC 2020},

  month        = {Sat May 02 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1291742

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