Materials Data on RbAg7S4 by Materials Project

doi:10.17188/1204941

Title: Materials Data on RbAg7S4 by Materials Project

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Abstract

RbAg7S4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.60 Å) and four longer (3.68 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.58 Å) and four longer (3.61 Å) Rb–S bond lengths. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.62–2.67 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–2.66 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–3.14 Å. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.43 Å. There aremore »« less

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-30543

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; RbAg7S4; Ag-Rb-S

OSTI Identifier:: 1204941

DOI:: https://doi.org/10.17188/1204941

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                    The Materials Project. Materials Data on RbAg7S4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204941.

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                    The Materials Project. Materials Data on RbAg7S4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204941

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                    The Materials Project. 2020.  
"Materials Data on RbAg7S4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204941.  https://www.osti.gov/servlets/purl/1204941. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1204941,

  title        = {Materials Data on RbAg7S4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbAg7S4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.60 Å) and four longer (3.68 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are four shorter (3.58 Å) and four longer (3.61 Å) Rb–S bond lengths. There are four inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.62–2.67 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–2.66 Å. In the third Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.50–3.14 Å. In the fourth Ag1+ site, Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.43 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 8-coordinate geometry to two Rb1+ and six Ag1+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to two Rb1+ and five Ag1+ atoms.},

  doi          = {10.17188/1204941},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204941

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