Materials Data on Ag(AuS)2 by Materials Project

doi:10.17188/1207084

Title: Materials Data on Ag(AuS)2 by Materials Project

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Abstract

Ag(AuS)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Au+1.50+ sites. In the first Au+1.50+ site, Au+1.50+ is bonded in a distorted linear geometry to two S2- atoms. There are one shorter (2.32 Å) and one longer (2.34 Å) Au–S bond lengths. In the second Au+1.50+ site, Au+1.50+ is bonded in a linear geometry to two equivalent S2- atoms. Both Au–S bond lengths are 2.33 Å. Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–2.97 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three Au+1.50+ and one Ag1+ atom to form distorted corner-sharing SAgAu3 tetrahedra. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Au+1.50+ and three equivalent Ag1+ atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-35835

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; Ag(AuS)2; Ag-Au-S

OSTI Identifier:: 1207084

DOI:: https://doi.org/10.17188/1207084

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                    The Materials Project. Materials Data on Ag(AuS)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207084.

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                    The Materials Project. Materials Data on Ag(AuS)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207084

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                    The Materials Project. 2020.  
"Materials Data on Ag(AuS)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207084.  https://www.osti.gov/servlets/purl/1207084. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1207084,

  title        = {Materials Data on Ag(AuS)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag(AuS)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Au+1.50+ sites. In the first Au+1.50+ site, Au+1.50+ is bonded in a distorted linear geometry to two S2- atoms. There are one shorter (2.32 Å) and one longer (2.34 Å) Au–S bond lengths. In the second Au+1.50+ site, Au+1.50+ is bonded in a linear geometry to two equivalent S2- atoms. Both Au–S bond lengths are 2.33 Å. Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–2.97 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to three Au+1.50+ and one Ag1+ atom to form distorted corner-sharing SAgAu3 tetrahedra. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Au+1.50+ and three equivalent Ag1+ atoms.},

  doi          = {10.17188/1207084},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1207084

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