Materials Data on Ag6SbAsS6 by Materials Project

doi:10.17188/1752753

Title: Materials Data on Ag6SbAsS6 by Materials Project

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Abstract

Ag6SbAsS6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.46–2.86 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.44–2.95 Å. Sb3+ is bonded in a distorted T-shaped geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.50 Å. As3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent S2- atoms. All As–S bond lengths are 2.32 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one As3+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one Sb3+ atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1229145

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; Ag6SbAsS6; Ag-As-S-Sb

OSTI Identifier:: 1752753

DOI:: https://doi.org/10.17188/1752753

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                    The Materials Project. Materials Data on Ag6SbAsS6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752753.

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                    The Materials Project. Materials Data on Ag6SbAsS6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752753

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                    The Materials Project. 2020.  
"Materials Data on Ag6SbAsS6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752753.  https://www.osti.gov/servlets/purl/1752753. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1752753,

  title        = {Materials Data on Ag6SbAsS6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag6SbAsS6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.46–2.86 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.44–2.95 Å. Sb3+ is bonded in a distorted T-shaped geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.50 Å. As3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent S2- atoms. All As–S bond lengths are 2.32 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one As3+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one Sb3+ atom.},

  doi          = {10.17188/1752753},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1752753

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