Materials Data on Be5Pd by Materials Project

doi:10.17188/1280938

Title: Materials Data on Be5Pd by Materials Project

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Abstract

Be5Pd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to twelve equivalent Be and four equivalent Pd atoms to form distorted BeBe12Pd4 tetrahedra that share corners with twelve equivalent BeBe9Pd3 cuboctahedra, faces with twenty-eight equivalent BeBe9Pd3 cuboctahedra, and faces with twelve equivalent BeBe12Pd4 tetrahedra. All Be–Be bond lengths are 2.48 Å. All Be–Pd bond lengths are 2.59 Å. In the second Be site, Be is bonded to nine Be and three equivalent Pd atoms to form distorted BeBe9Pd3 cuboctahedra that share corners with eighteen equivalent BeBe9Pd3 cuboctahedra, corners with three equivalent BeBe12Pd4 tetrahedra, edges with six equivalent BeBe9Pd3 cuboctahedra, faces with eighteen equivalent BeBe9Pd3 cuboctahedra, and faces with seven equivalent BeBe12Pd4 tetrahedra. All Be–Be bond lengths are 2.12 Å. All Be–Pd bond lengths are 2.48 Å. Pd is bonded in a 12-coordinate geometry to sixteen Be atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-650

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; Be5Pd; Be-Pd

OSTI Identifier:: 1280938

DOI:: https://doi.org/10.17188/1280938

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                    The Materials Project. Materials Data on Be5Pd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280938.

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                    The Materials Project. Materials Data on Be5Pd by Materials Project.  United States.  doi:https://doi.org/10.17188/1280938

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                    The Materials Project. 2020.  
"Materials Data on Be5Pd by Materials Project".  United States.  doi:https://doi.org/10.17188/1280938.  https://www.osti.gov/servlets/purl/1280938. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1280938,

  title        = {Materials Data on Be5Pd by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Be5Pd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Be sites. In the first Be site, Be is bonded to twelve equivalent Be and four equivalent Pd atoms to form distorted BeBe12Pd4 tetrahedra that share corners with twelve equivalent BeBe9Pd3 cuboctahedra, faces with twenty-eight equivalent BeBe9Pd3 cuboctahedra, and faces with twelve equivalent BeBe12Pd4 tetrahedra. All Be–Be bond lengths are 2.48 Å. All Be–Pd bond lengths are 2.59 Å. In the second Be site, Be is bonded to nine Be and three equivalent Pd atoms to form distorted BeBe9Pd3 cuboctahedra that share corners with eighteen equivalent BeBe9Pd3 cuboctahedra, corners with three equivalent BeBe12Pd4 tetrahedra, edges with six equivalent BeBe9Pd3 cuboctahedra, faces with eighteen equivalent BeBe9Pd3 cuboctahedra, and faces with seven equivalent BeBe12Pd4 tetrahedra. All Be–Be bond lengths are 2.12 Å. All Be–Pd bond lengths are 2.48 Å. Pd is bonded in a 12-coordinate geometry to sixteen Be atoms.},

  doi          = {10.17188/1280938},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1280938

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