Materials Data on Rb2Ag4S3 by Materials Project

doi:10.17188/1262858

Title: Materials Data on Rb2Ag4S3 by Materials Project

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Abstract

Rb2Ag4S3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six S2- atoms to form a mixture of distorted corner, edge, and face-sharing RbS6 octahedra. The corner-sharing octahedra tilt angles range from 39–67°. There are a spread of Rb–S bond distances ranging from 3.44–3.52 Å. In the second Rb1+ site, Rb1+ is bonded to six S2- atoms to form a mixture of distorted corner, edge, and face-sharing RbS6 octahedra. The corner-sharing octahedra tilt angles range from 39–67°. There are a spread of Rb–S bond distances ranging from 3.37–3.50 Å. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.56 Å) and one longer (2.66 Å) Ag–S bond lengths. In the second 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 2.53–3.19 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are one shorter (2.55 Å) and two longer (2.75more »« less

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-510240

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; Rb2Ag4S3; Ag-Rb-S

OSTI Identifier:: 1262858

DOI:: https://doi.org/10.17188/1262858

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                    The Materials Project. Materials Data on Rb2Ag4S3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262858.

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                    The Materials Project. Materials Data on Rb2Ag4S3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262858

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                    The Materials Project. 2020.  
"Materials Data on Rb2Ag4S3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262858.  https://www.osti.gov/servlets/purl/1262858. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1262858,

  title        = {Materials Data on Rb2Ag4S3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2Ag4S3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to six S2- atoms to form a mixture of distorted corner, edge, and face-sharing RbS6 octahedra. The corner-sharing octahedra tilt angles range from 39–67°. There are a spread of Rb–S bond distances ranging from 3.44–3.52 Å. In the second Rb1+ site, Rb1+ is bonded to six S2- atoms to form a mixture of distorted corner, edge, and face-sharing RbS6 octahedra. The corner-sharing octahedra tilt angles range from 39–67°. There are a spread of Rb–S bond distances ranging from 3.37–3.50 Å. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.56 Å) and one longer (2.66 Å) Ag–S bond lengths. In the second 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 2.53–3.19 Å. In the third Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are one shorter (2.55 Å) and two longer (2.75 Å) Ag–S bond lengths. In the fourth Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.49 Å) and one longer (2.73 Å) Ag–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 9-coordinate geometry to three Rb1+ and six Ag1+ atoms. In the second S2- site, S2- is bonded in a 8-coordinate geometry to four Rb1+ and four Ag1+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to five Rb1+ and three Ag1+ atoms.},

  doi          = {10.17188/1262858},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1262858

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