Materials Data on BaPd5 by Materials Project

doi:10.17188/1201099

Title: Materials Data on BaPd5 by Materials Project

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Abstract

Pd5Ba crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba is bonded in a 6-coordinate geometry to eighteen Pd atoms. There are six shorter (3.24 Å) and twelve longer (3.57 Å) Ba–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Ba and eight Pd atoms to form a mixture of corner, edge, and face-sharing PdBa4Pd8 cuboctahedra. There are four shorter (2.74 Å) and four longer (2.80 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Ba and six equivalent Pd atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-2606

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; BaPd5; Ba-Pd

OSTI Identifier:: 1201099

DOI:: https://doi.org/10.17188/1201099

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                    The Materials Project. Materials Data on BaPd5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201099.

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                    The Materials Project. Materials Data on BaPd5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201099

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                    The Materials Project. 2020.  
"Materials Data on BaPd5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201099.  https://www.osti.gov/servlets/purl/1201099. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1201099,

  title        = {Materials Data on BaPd5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pd5Ba crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ba is bonded in a 6-coordinate geometry to eighteen Pd atoms. There are six shorter (3.24 Å) and twelve longer (3.57 Å) Ba–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Ba and eight Pd atoms to form a mixture of corner, edge, and face-sharing PdBa4Pd8 cuboctahedra. There are four shorter (2.74 Å) and four longer (2.80 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Ba and six equivalent Pd atoms.},

  doi          = {10.17188/1201099},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1201099

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