Materials Data on AsAuO3 by Materials Project

doi:10.17188/1289844

Title: Materials Data on AsAuO3 by Materials Project

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Abstract

AuAsO3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two AuAsO3 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Au1+ sites. In the first Au1+ site, Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.06 Å. In the second Au1+ site, Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.07 Å. As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.68–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Au1+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au1+ and one As5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-755240

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; AsAuO3; As-Au-O

OSTI Identifier:: 1289844

DOI:: https://doi.org/10.17188/1289844

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                    The Materials Project. Materials Data on AsAuO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289844.

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                    The Materials Project. Materials Data on AsAuO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289844

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                    The Materials Project. 2020.  
"Materials Data on AsAuO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289844.  https://www.osti.gov/servlets/purl/1289844. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1289844,

  title        = {Materials Data on AsAuO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AuAsO3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two AuAsO3 sheets oriented in the (0, 1, 0) direction. there are two inequivalent Au1+ sites. In the first Au1+ site, Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.06 Å. In the second Au1+ site, Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.07 Å. As5+ is bonded to four O2- atoms to form corner-sharing AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.68–1.81 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Au1+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Au1+ and one As5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms.},

  doi          = {10.17188/1289844},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1289844

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