Materials Data on Hg4SbO6 by Materials Project

doi:10.17188/1680167

Title: Materials Data on Hg4SbO6 by Materials Project

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Abstract

Hg4SbO6 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Hg4SbO6 sheet oriented in the (0, 0, 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 (2.27 Å) and one longer (2.28 Å) Hg–O bond lengths. In the second Hg+1.75+ site, Hg+1.75+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.11–2.30 Å. In the third Hg+1.75+ site, Hg+1.75+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.11–2.30 Å. In the fourth Hg+1.75+ site, Hg+1.75+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.27 Å) and one longer (2.28 Å) Hg–O bond lengths. Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (1.96 Å) and four longer (2.11 Å) Sb–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Hg+1.75+ and one Sb5+more »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1181099

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:: 1680167

DOI:: https://doi.org/10.17188/1680167

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                    The Materials Project. Materials Data on Hg4SbO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680167.

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                    The Materials Project. Materials Data on Hg4SbO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680167

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                    The Materials Project. 2020.  
"Materials Data on Hg4SbO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680167.  https://www.osti.gov/servlets/purl/1680167. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1680167,

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

  author       = {The Materials Project},

  abstractNote = {Hg4SbO6 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Hg4SbO6 sheet oriented in the (0, 0, 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 (2.27 Å) and one longer (2.28 Å) Hg–O bond lengths. In the second Hg+1.75+ site, Hg+1.75+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.11–2.30 Å. In the third Hg+1.75+ site, Hg+1.75+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.11–2.30 Å. In the fourth Hg+1.75+ site, Hg+1.75+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.27 Å) and one longer (2.28 Å) Hg–O bond lengths. Sb5+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (1.96 Å) and four longer (2.11 Å) Sb–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two Hg+1.75+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Hg+1.75+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Hg+1.75+ and one Sb5+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Hg+1.75+ and one Sb5+ atom. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to two Hg+1.75+ and one Sb5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Hg+1.75+ and one Sb5+ atom.},

  doi          = {10.17188/1680167},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1680167

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