Materials Data on Pd3(PbSe)2 by Materials Project

doi:10.17188/1696302

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

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Abstract

Pd3(PbSe)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 Se atoms. There are two shorter (3.03 Å) and two longer (3.04 Å) Pd–Pb bond lengths. Both Pd–Se bond lengths are 2.48 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six equivalent Pd and two equivalent Se atoms to form corner-sharing PbPd6Se2 hexagonal bipyramids. Both Pb–Se bond lengths are 3.18 Å. In the second Pb site, Pb is bonded in a hexagonal planar geometry to six equivalent Pd atoms. Se is bonded in a 4-coordinate geometry to three equivalent Pd and one Pb atom.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1078089

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; Pd3(PbSe)2; Pb-Pd-Se

OSTI Identifier:: 1696302

DOI:: https://doi.org/10.17188/1696302

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                    The Materials Project. Materials Data on Pd3(PbSe)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1696302.

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                    The Materials Project. Materials Data on Pd3(PbSe)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1696302

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                    The Materials Project. 2020.  
"Materials Data on Pd3(PbSe)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1696302.  https://www.osti.gov/servlets/purl/1696302. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1696302,

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

  author       = {The Materials Project},

  abstractNote = {Pd3(PbSe)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 Se atoms. There are two shorter (3.03 Å) and two longer (3.04 Å) Pd–Pb bond lengths. Both Pd–Se bond lengths are 2.48 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six equivalent Pd and two equivalent Se atoms to form corner-sharing PbPd6Se2 hexagonal bipyramids. Both Pb–Se bond lengths are 3.18 Å. In the second Pb site, Pb is bonded in a hexagonal planar geometry to six equivalent Pd atoms. Se is bonded in a 4-coordinate geometry to three equivalent Pd and one Pb atom.},

  doi          = {10.17188/1696302},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1696302

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