Materials Data on Ag3SbS3 by Materials Project

doi:10.17188/1722482

Title: Materials Data on Ag3SbS3 by Materials Project

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Abstract

Ag3SbS3 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two Ag3SbS3 sheets oriented in the (0, 1, 0) direction. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent Sb3+ and two S2- atoms. There are one shorter (2.82 Å) and one longer (2.89 Å) Ag–Sb bond lengths. There are one shorter (2.52 Å) and one longer (2.85 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.45–2.53 Å. In the third Ag1+ site, Ag1+ is bonded in a trigonal planar geometry to three S2- atoms. There are one shorter (2.52 Å) and two longer (2.58 Å) Ag–S bond lengths. Sb3+ is bonded in a 3-coordinate geometry to two equivalent Ag1+ and one S2- atom. The Sb–S bond length is 2.93 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Ag1+ atoms to form a mixture of distorted corner and edge-sharing SAg5 trigonal bipyramids. In the second S2- site, S2- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1183018

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:: 1722482

DOI:: https://doi.org/10.17188/1722482

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                    The Materials Project. Materials Data on Ag3SbS3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1722482.

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                    The Materials Project. Materials Data on Ag3SbS3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1722482

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                    The Materials Project. 2019.  
"Materials Data on Ag3SbS3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1722482.  https://www.osti.gov/servlets/purl/1722482. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1722482,

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

  author       = {The Materials Project},

  abstractNote = {Ag3SbS3 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two Ag3SbS3 sheets oriented in the (0, 1, 0) direction. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent Sb3+ and two S2- atoms. There are one shorter (2.82 Å) and one longer (2.89 Å) Ag–Sb bond lengths. There are one shorter (2.52 Å) and one longer (2.85 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.45–2.53 Å. In the third Ag1+ site, Ag1+ is bonded in a trigonal planar geometry to three S2- atoms. There are one shorter (2.52 Å) and two longer (2.58 Å) Ag–S bond lengths. Sb3+ is bonded in a 3-coordinate geometry to two equivalent Ag1+ and one S2- atom. The Sb–S bond length is 2.93 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to five Ag1+ atoms to form a mixture of distorted corner and edge-sharing SAg5 trigonal bipyramids. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two Ag1+ and one S2- atom. The S–S bond length is 2.05 Å. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two Ag1+, one Sb3+, and one S2- atom.},

  doi          = {10.17188/1722482},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1722482

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