Materials Data on RbAg5Se3 by Materials Project

doi:10.17188/1204164

Title: Materials Data on RbAg5Se3 by Materials Project

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Abstract

RbAg5Se3 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Rb–Se bond lengths are 3.65 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.69–3.36 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted square co-planar geometry to four equivalent Se2- atoms. All Ag–Se bond lengths are 3.05 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent Rb1+ and four equivalent Ag1+ atoms. In the second Se2- site, Se2- is bonded to twelve Ag1+ atoms to form a mixture of distorted face and corner-sharing SeAg12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-29685

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; RbAg5Se3; Ag-Rb-Se

OSTI Identifier:: 1204164

DOI:: https://doi.org/10.17188/1204164

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                    The Materials Project. Materials Data on RbAg5Se3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204164.

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                    The Materials Project. Materials Data on RbAg5Se3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204164

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                    The Materials Project. 2020.  
"Materials Data on RbAg5Se3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204164.  https://www.osti.gov/servlets/purl/1204164. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1204164,

  title        = {Materials Data on RbAg5Se3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbAg5Se3 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent Se2- atoms. All Rb–Se bond lengths are 3.65 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal planar geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.69–3.36 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted square co-planar geometry to four equivalent Se2- atoms. All Ag–Se bond lengths are 3.05 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 8-coordinate geometry to four equivalent Rb1+ and four equivalent Ag1+ atoms. In the second Se2- site, Se2- is bonded to twelve Ag1+ atoms to form a mixture of distorted face and corner-sharing SeAg12 cuboctahedra.},

  doi          = {10.17188/1204164},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1204164

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