Materials Data on Hg4SbO6 by Materials Project

doi:10.17188/1666876

Title: Materials Data on Hg4SbO6 by Materials Project

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Abstract

Hg4SbO6 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one Hg4SbO6 ribbon oriented in the (1, 1, 1) direction. there are four inequivalent Hg+1.75+ sites. In the first Hg+1.75+ site, Hg+1.75+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (1.89 Å) and one longer (2.77 Å) Hg–O bond lengths. In the second Hg+1.75+ site, Hg+1.75+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.10 Å) and one longer (2.13 Å) Hg–O bond lengths. In the third Hg+1.75+ site, Hg+1.75+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.10 Å) and one longer (2.14 Å) Hg–O bond lengths. In the fourth Hg+1.75+ site, Hg+1.75+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (1.88 Å) and one longer (2.77 Å) Hg–O bond lengths. Sb5+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.68–1.96 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Hg+1.75+ and one Sb5+more »« less

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1206653

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; Hg4SbO6; Hg-O-Sb

OSTI Identifier:: 1666876

DOI:: https://doi.org/10.17188/1666876

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                    The Materials Project. Materials Data on Hg4SbO6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1666876.

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                    The Materials Project. Materials Data on Hg4SbO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1666876

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                    The Materials Project. 2019.  
"Materials Data on Hg4SbO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1666876.  https://www.osti.gov/servlets/purl/1666876. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1666876,

  title        = {Materials Data on Hg4SbO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Hg4SbO6 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one Hg4SbO6 ribbon oriented in the (1, 1, 1) direction. there are four inequivalent Hg+1.75+ sites. In the first Hg+1.75+ site, Hg+1.75+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (1.89 Å) and one longer (2.77 Å) Hg–O bond lengths. In the second Hg+1.75+ site, Hg+1.75+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.10 Å) and one longer (2.13 Å) Hg–O bond lengths. In the third Hg+1.75+ site, Hg+1.75+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.10 Å) and one longer (2.14 Å) Hg–O bond lengths. In the fourth Hg+1.75+ site, Hg+1.75+ is bonded in a distorted linear geometry to two O2- atoms. There are one shorter (1.88 Å) and one longer (2.77 Å) Hg–O bond lengths. Sb5+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.68–1.96 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Hg+1.75+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted L-shaped geometry to two Hg+1.75+ atoms. In the fourth O2- site, O2- is bonded in a distorted L-shaped geometry to two Hg+1.75+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Hg+1.75+ and one Sb5+ atom.},

  doi          = {10.17188/1666876},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1666876

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