Materials Data on AuSO4 by Materials Project

doi:10.17188/1204442

Title: Materials Data on AuSO4 by Materials Project

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Abstract

AuSO4 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two AuSO4 sheets oriented in the (0, 0, 1) direction. Au2+ is bonded in a T-shaped geometry to three O2- atoms. There are two shorter (2.04 Å) and one longer (2.17 Å) Au–O bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.43–1.54 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Au2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Au2+ and one S6+ atom.

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-30003

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; AuSO4; Au-O-S

OSTI Identifier:: 1204442

DOI:: https://doi.org/10.17188/1204442

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                    The Materials Project. Materials Data on AuSO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204442.

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                    The Materials Project. Materials Data on AuSO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204442

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                    The Materials Project. 2020.  
"Materials Data on AuSO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204442.  https://www.osti.gov/servlets/purl/1204442. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1204442,

  title        = {Materials Data on AuSO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AuSO4 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two AuSO4 sheets oriented in the (0, 0, 1) direction. Au2+ is bonded in a T-shaped geometry to three O2- atoms. There are two shorter (2.04 Å) and one longer (2.17 Å) Au–O bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.43–1.54 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Au2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Au2+ and one S6+ atom.},

  doi          = {10.17188/1204442},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204442

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