Materials Data on ZnPd3 by Materials Project

doi:10.17188/1313665

Title: Materials Data on ZnPd3 by Materials Project

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Abstract

Pd3Zn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Zn atoms to form distorted PdZn4Pd8 cuboctahedra that share corners with four equivalent ZnPd12 cuboctahedra, corners with fourteen equivalent PdZn4Pd8 cuboctahedra, edges with six equivalent ZnPd12 cuboctahedra, edges with twelve equivalent PdZn4Pd8 cuboctahedra, faces with four equivalent ZnPd12 cuboctahedra, and faces with sixteen equivalent PdZn4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.76–2.82 Å. There are two shorter (2.76 Å) and two longer (2.79 Å) Pd–Zn bond lengths. Zn is bonded to twelve equivalent Pd atoms to form ZnPd12 cuboctahedra that share corners with six equivalent ZnPd12 cuboctahedra, corners with twelve equivalent PdZn4Pd8 cuboctahedra, edges with eighteen equivalent PdZn4Pd8 cuboctahedra, faces with eight equivalent ZnPd12 cuboctahedra, and faces with twelve equivalent PdZn4Pd8 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-971909

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; ZnPd3; Pd-Zn

OSTI Identifier:: 1313665

DOI:: https://doi.org/10.17188/1313665

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                    The Materials Project. Materials Data on ZnPd3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313665.

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                    The Materials Project. Materials Data on ZnPd3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313665

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                    The Materials Project. 2020.  
"Materials Data on ZnPd3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313665.  https://www.osti.gov/servlets/purl/1313665. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1313665,

  title        = {Materials Data on ZnPd3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pd3Zn is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to eight equivalent Pd and four equivalent Zn atoms to form distorted PdZn4Pd8 cuboctahedra that share corners with four equivalent ZnPd12 cuboctahedra, corners with fourteen equivalent PdZn4Pd8 cuboctahedra, edges with six equivalent ZnPd12 cuboctahedra, edges with twelve equivalent PdZn4Pd8 cuboctahedra, faces with four equivalent ZnPd12 cuboctahedra, and faces with sixteen equivalent PdZn4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.76–2.82 Å. There are two shorter (2.76 Å) and two longer (2.79 Å) Pd–Zn bond lengths. Zn is bonded to twelve equivalent Pd atoms to form ZnPd12 cuboctahedra that share corners with six equivalent ZnPd12 cuboctahedra, corners with twelve equivalent PdZn4Pd8 cuboctahedra, edges with eighteen equivalent PdZn4Pd8 cuboctahedra, faces with eight equivalent ZnPd12 cuboctahedra, and faces with twelve equivalent PdZn4Pd8 cuboctahedra.},

  doi          = {10.17188/1313665},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1313665

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