Materials Data on Pd3N by Materials Project

doi:10.17188/1317535

Title: Materials Data on Pd3N by Materials Project

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Abstract

Pd3N is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Pd–Pd bond lengths are 2.62 Å. In the second Pd site, Pd is bonded to four equivalent Pd and four equivalent N atoms to form a mixture of distorted edge, face, and corner-sharing PdPd4N4 tetrahedra. All Pd–N bond lengths are 2.62 Å. N is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-999296

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; Pd3N; N-Pd

OSTI Identifier:: 1317535

DOI:: https://doi.org/10.17188/1317535

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                    The Materials Project. Materials Data on Pd3N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317535.

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                    The Materials Project. Materials Data on Pd3N by Materials Project.  United States.  doi:https://doi.org/10.17188/1317535

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                    The Materials Project. 2020.  
"Materials Data on Pd3N by Materials Project".  United States.  doi:https://doi.org/10.17188/1317535.  https://www.osti.gov/servlets/purl/1317535. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1317535,

  title        = {Materials Data on Pd3N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pd3N is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Pd–Pd bond lengths are 2.62 Å. In the second Pd site, Pd is bonded to four equivalent Pd and four equivalent N atoms to form a mixture of distorted edge, face, and corner-sharing PdPd4N4 tetrahedra. All Pd–N bond lengths are 2.62 Å. N is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.},

  doi          = {10.17188/1317535},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1317535

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