Materials Data on Ag3AuS2 by Materials Project

doi:10.17188/1201776

Title: Materials Data on Ag3AuS2 by Materials Project

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Abstract

Ag3AuS2 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Au1+ is bonded in a 2-coordinate geometry to six equivalent Ag1+ and two S2- atoms. There are three shorter (3.08 Å) and three longer (3.12 Å) Au–Ag bond lengths. Both Au–S bond lengths are 2.37 Å. Ag1+ is bonded in a 2-coordinate geometry to two equivalent Au1+, four equivalent Ag1+, and four S2- atoms. There are a spread of Ag–Ag bond distances ranging from 2.95–3.10 Å. There are a spread of Ag–S bond distances ranging from 2.66–2.87 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to one Au1+ and six equivalent Ag1+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to one Au1+ and six equivalent Ag1+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-27554

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; Ag3AuS2; Ag-Au-S

OSTI Identifier:: 1201776

DOI:: https://doi.org/10.17188/1201776

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                    The Materials Project. Materials Data on Ag3AuS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201776.

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                    The Materials Project. Materials Data on Ag3AuS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201776

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                    The Materials Project. 2020.  
"Materials Data on Ag3AuS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201776.  https://www.osti.gov/servlets/purl/1201776. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1201776,

  title        = {Materials Data on Ag3AuS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag3AuS2 crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Au1+ is bonded in a 2-coordinate geometry to six equivalent Ag1+ and two S2- atoms. There are three shorter (3.08 Å) and three longer (3.12 Å) Au–Ag bond lengths. Both Au–S bond lengths are 2.37 Å. Ag1+ is bonded in a 2-coordinate geometry to two equivalent Au1+, four equivalent Ag1+, and four S2- atoms. There are a spread of Ag–Ag bond distances ranging from 2.95–3.10 Å. There are a spread of Ag–S bond distances ranging from 2.66–2.87 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to one Au1+ and six equivalent Ag1+ atoms. In the second S2- site, S2- is bonded in a 7-coordinate geometry to one Au1+ and six equivalent Ag1+ atoms.},

  doi          = {10.17188/1201776},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201776

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