Materials Data on Ag2(RhS)15 by Materials Project

doi:10.17188/1663084

Title: Materials Data on Ag2(RhS)15 by Materials Project

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Abstract

Ag2(RhS)15 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a rectangular see-saw-like geometry to four S atoms. There are two shorter (2.33 Å) and two longer (2.36 Å) Rh–S bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to one Ag and four equivalent S atoms. The Rh–Ag bond length is 2.98 Å. All Rh–S bond lengths are 2.34 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in an octahedral geometry to two equivalent Rh and four equivalent S atoms. All Ag–S bond lengths are 2.56 Å. In the second Ag site, Ag is bonded in an octahedral geometry to six equivalent S atoms. All Ag–S bond lengths are 2.54 Å. There are three inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to four equivalent Rh and one Ag atom. In the second S site, S is bonded in a 4-coordinate geometry to four Rh atoms. In the third S site, S is bonded in a 5-coordinate geometry to four equivalent Rh andmore » one Ag atom.« less

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-1201221

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; Ag2(RhS)15; Ag-Rh-S

OSTI Identifier:: 1663084

DOI:: https://doi.org/10.17188/1663084

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                    The Materials Project. Materials Data on Ag2(RhS)15 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663084.

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                    The Materials Project. Materials Data on Ag2(RhS)15 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663084

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                    The Materials Project. 2020.  
"Materials Data on Ag2(RhS)15 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663084.  https://www.osti.gov/servlets/purl/1663084. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1663084,

  title        = {Materials Data on Ag2(RhS)15 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ag2(RhS)15 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a rectangular see-saw-like geometry to four S atoms. There are two shorter (2.33 Å) and two longer (2.36 Å) Rh–S bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to one Ag and four equivalent S atoms. The Rh–Ag bond length is 2.98 Å. All Rh–S bond lengths are 2.34 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in an octahedral geometry to two equivalent Rh and four equivalent S atoms. All Ag–S bond lengths are 2.56 Å. In the second Ag site, Ag is bonded in an octahedral geometry to six equivalent S atoms. All Ag–S bond lengths are 2.54 Å. There are three inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to four equivalent Rh and one Ag atom. In the second S site, S is bonded in a 4-coordinate geometry to four Rh atoms. In the third S site, S is bonded in a 5-coordinate geometry to four equivalent Rh and one Ag atom.},

  doi          = {10.17188/1663084},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1663084

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