Materials Data on SiHg2(OF3)2 by Materials Project

doi:10.17188/1740442

Title: Materials Data on SiHg2(OF3)2 by Materials Project

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Abstract

Hg2Si(OF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Hg2Si(OF3)2 ribbons oriented in the (1, 1, 0) direction. Hg is bonded in a distorted linear geometry to one O and one F atom. The Hg–O bond length is 2.05 Å. The Hg–F bond length is 2.14 Å. Si is bonded in an octahedral geometry to six F atoms. There are a spread of Si–F bond distances ranging from 1.67–1.81 Å. O is bonded in a water-like geometry to one Hg and one O atom. The O–O bond length is 1.48 Å. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Si atom. In the second F site, F is bonded in a single-bond geometry to one Si atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Hg and one Si atom.

Publication Date:: 2020-04-30

Other Number(s):: mp-1179477

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; F-Hg-O-Si; SiHg2(OF3)2; crystal structure

OSTI Identifier:: 1740442

DOI:: https://doi.org/10.17188/1740442

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                    Materials Data on SiHg2(OF3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740442.

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                    Materials Data on SiHg2(OF3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740442

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                    2020.  
"Materials Data on SiHg2(OF3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740442.  https://www.osti.gov/servlets/purl/1740442. Pub date:Thu Apr 30 04:00:00 UTC 2020

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@article{osti_1740442,

  title        = {Materials Data on SiHg2(OF3)2 by Materials Project},

  
  abstractNote = {Hg2Si(OF3)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Hg2Si(OF3)2 ribbons oriented in the (1, 1, 0) direction. Hg is bonded in a distorted linear geometry to one O and one F atom. The Hg–O bond length is 2.05 Å. The Hg–F bond length is 2.14 Å. Si is bonded in an octahedral geometry to six F atoms. There are a spread of Si–F bond distances ranging from 1.67–1.81 Å. O is bonded in a water-like geometry to one Hg and one O atom. The O–O bond length is 1.48 Å. There are three inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Si atom. In the second F site, F is bonded in a single-bond geometry to one Si atom. In the third F site, F is bonded in a bent 120 degrees geometry to one Hg and one Si atom.},

  doi          = {10.17188/1740442},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1740442

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