Materials Data on Pd3(PbS)2 by Materials Project

doi:10.17188/1197207

Title: Materials Data on Pd3(PbS)2 by Materials Project

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Abstract

Pd3(PbS)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pd is bonded in a distorted linear geometry to four Pb and two equivalent S atoms. There are two shorter (2.93 Å) and two longer (3.04 Å) Pd–Pb bond lengths. Both Pd–S bond lengths are 2.36 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six equivalent Pd and two equivalent S atoms to form corner-sharing PbPd6S2 hexagonal bipyramids. Both Pb–S bond lengths are 3.11 Å. In the second Pb site, Pb is bonded in a hexagonal planar geometry to six equivalent Pd atoms. S is bonded in a 4-coordinate geometry to three equivalent Pd and one Pb atom.

Publication Date:: 2020-07-23

Other Number(s):: mp-21863

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Pb-Pd-S; Pd3(PbS)2; crystal structure

OSTI Identifier:: 1197207

DOI:: https://doi.org/10.17188/1197207

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                    Materials Data on Pd3(PbS)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197207.

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                    Materials Data on Pd3(PbS)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197207

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                    2020.  
"Materials Data on Pd3(PbS)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197207.  https://www.osti.gov/servlets/purl/1197207. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1197207,

  title        = {Materials Data on Pd3(PbS)2 by Materials Project},

  
  abstractNote = {Pd3(PbS)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pd is bonded in a distorted linear geometry to four Pb and two equivalent S atoms. There are two shorter (2.93 Å) and two longer (3.04 Å) Pd–Pb bond lengths. Both Pd–S bond lengths are 2.36 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six equivalent Pd and two equivalent S atoms to form corner-sharing PbPd6S2 hexagonal bipyramids. Both Pb–S bond lengths are 3.11 Å. In the second Pb site, Pb is bonded in a hexagonal planar geometry to six equivalent Pd atoms. S is bonded in a 4-coordinate geometry to three equivalent Pd and one Pb atom.},

  doi          = {10.17188/1197207},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197207

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