Materials Data on Ag3SbS3 by Materials Project

doi:10.17188/1268719

Title: Materials Data on Ag3SbS3 by Materials Project

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Abstract

Ag3SbS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–3.46 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted bent 150 degrees geometry to two equivalent S2- atoms. There are one shorter (2.44 Å) and one longer (2.46 Å) Ag–S bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–2.92 Å. Sb3+ is bonded in a 4-coordinate geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–2.52 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one Sb3+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one Sb3+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four Ag1+ and one Sb3+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-555269

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; Ag3SbS3; Ag-S-Sb

OSTI Identifier:: 1268719

DOI:: https://doi.org/10.17188/1268719

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                    The Materials Project. Materials Data on Ag3SbS3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1268719.

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                    The Materials Project. Materials Data on Ag3SbS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1268719

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                    The Materials Project. 2020.  
"Materials Data on Ag3SbS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1268719.  https://www.osti.gov/servlets/purl/1268719. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1268719,

  title        = {Materials Data on Ag3SbS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag3SbS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–3.46 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted bent 150 degrees geometry to two equivalent S2- atoms. There are one shorter (2.44 Å) and one longer (2.46 Å) Ag–S bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–2.92 Å. Sb3+ is bonded in a 4-coordinate geometry to three S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–2.52 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one Sb3+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Ag1+ and one Sb3+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four Ag1+ and one Sb3+ atom.},

  doi          = {10.17188/1268719},

  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/10.17188/1268719

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