Materials Data on NaHgCl3O2 by Materials Project

doi:10.17188/1724694

Title: Materials Data on NaHgCl3O2 by Materials Project

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Abstract

NaHgO2Cl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four NaHgO2Cl3 ribbons oriented in the (1, 0, 0) direction. Na is bonded to three O and one Cl atom to form distorted corner-sharing NaClO3 tetrahedra. There are two shorter (2.32 Å) and one longer (2.36 Å) Na–O bond lengths. The Na–Cl bond length is 2.90 Å. Hg is bonded in a linear geometry to two Cl atoms. There are one shorter (2.35 Å) and one longer (2.37 Å) Hg–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.64 Å. In the second O site, O is bonded in a single-bond geometry to one Na atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to one Na and one Hg atom. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Hg atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1179941

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; NaHgCl3O2; Cl-Hg-Na-O

OSTI Identifier:: 1724694

DOI:: https://doi.org/10.17188/1724694

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                    The Materials Project. Materials Data on NaHgCl3O2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1724694.

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                    The Materials Project. Materials Data on NaHgCl3O2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1724694

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                    The Materials Project. 2020.  
"Materials Data on NaHgCl3O2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1724694.  https://www.osti.gov/servlets/purl/1724694. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1724694,

  title        = {Materials Data on NaHgCl3O2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaHgO2Cl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four NaHgO2Cl3 ribbons oriented in the (1, 0, 0) direction. Na is bonded to three O and one Cl atom to form distorted corner-sharing NaClO3 tetrahedra. There are two shorter (2.32 Å) and one longer (2.36 Å) Na–O bond lengths. The Na–Cl bond length is 2.90 Å. Hg is bonded in a linear geometry to two Cl atoms. There are one shorter (2.35 Å) and one longer (2.37 Å) Hg–Cl bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Na and one Cl atom. The O–Cl bond length is 1.64 Å. In the second O site, O is bonded in a single-bond geometry to one Na atom. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a water-like geometry to one Na and one Hg atom. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Hg atom.},

  doi          = {10.17188/1724694},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1724694

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