Materials Data on Zn5Pd3 by Materials Project

doi:10.17188/1714581

Title: Materials Data on Zn5Pd3 by Materials Project

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Abstract

Pd3Zn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted body-centered cubic geometry to nine Zn atoms. There are eight shorter (2.66 Å) and one longer (3.07 Å) Pd–Zn bond lengths. In the second Pd site, Pd is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pd–Zn bond lengths are 2.66 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 8-coordinate geometry to four equivalent Pd and four equivalent Zn atoms. All Zn–Zn bond lengths are 2.66 Å. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight Pd atoms. In the third Zn site, Zn is bonded in a 10-coordinate geometry to two equivalent Pd and eight equivalent Zn atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-1215488

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; Zn5Pd3; Pd-Zn

OSTI Identifier:: 1714581

DOI:: https://doi.org/10.17188/1714581

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                    The Materials Project. Materials Data on Zn5Pd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1714581.

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                    The Materials Project. Materials Data on Zn5Pd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1714581

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                    The Materials Project. 2020.  
"Materials Data on Zn5Pd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1714581.  https://www.osti.gov/servlets/purl/1714581. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1714581,

  title        = {Materials Data on Zn5Pd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pd3Zn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted body-centered cubic geometry to nine Zn atoms. There are eight shorter (2.66 Å) and one longer (3.07 Å) Pd–Zn bond lengths. In the second Pd site, Pd is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pd–Zn bond lengths are 2.66 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 8-coordinate geometry to four equivalent Pd and four equivalent Zn atoms. All Zn–Zn bond lengths are 2.66 Å. In the second Zn site, Zn is bonded in a body-centered cubic geometry to eight Pd atoms. In the third Zn site, Zn is bonded in a 10-coordinate geometry to two equivalent Pd and eight equivalent Zn atoms.},

  doi          = {10.17188/1714581},

  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/10.17188/1714581

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