Materials Data on PdAu3 by Materials Project

doi:10.17188/1686378

Title: Materials Data on PdAu3 by Materials Project

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Abstract

PdAu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to twelve equivalent Au atoms to form PdAu12 cuboctahedra that share corners with six equivalent PdAu12 cuboctahedra, corners with twelve equivalent AuPd4Au8 cuboctahedra, edges with eighteen equivalent AuPd4Au8 cuboctahedra, faces with eight equivalent PdAu12 cuboctahedra, and faces with twelve equivalent AuPd4Au8 cuboctahedra. There are six shorter (2.89 Å) and six longer (2.92 Å) Pd–Au bond lengths. Au is bonded to four equivalent Pd and eight equivalent Au atoms to form distorted AuPd4Au8 cuboctahedra that share corners with four equivalent PdAu12 cuboctahedra, corners with fourteen equivalent AuPd4Au8 cuboctahedra, edges with six equivalent PdAu12 cuboctahedra, edges with twelve equivalent AuPd4Au8 cuboctahedra, faces with four equivalent PdAu12 cuboctahedra, and faces with sixteen equivalent AuPd4Au8 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.87–2.94 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-1186447

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; PdAu3; Au-Pd

OSTI Identifier:: 1686378

DOI:: https://doi.org/10.17188/1686378

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                    The Materials Project. Materials Data on PdAu3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1686378.

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                    The Materials Project. Materials Data on PdAu3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1686378

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                    The Materials Project. 2020.  
"Materials Data on PdAu3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1686378.  https://www.osti.gov/servlets/purl/1686378. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1686378,

  title        = {Materials Data on PdAu3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PdAu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to twelve equivalent Au atoms to form PdAu12 cuboctahedra that share corners with six equivalent PdAu12 cuboctahedra, corners with twelve equivalent AuPd4Au8 cuboctahedra, edges with eighteen equivalent AuPd4Au8 cuboctahedra, faces with eight equivalent PdAu12 cuboctahedra, and faces with twelve equivalent AuPd4Au8 cuboctahedra. There are six shorter (2.89 Å) and six longer (2.92 Å) Pd–Au bond lengths. Au is bonded to four equivalent Pd and eight equivalent Au atoms to form distorted AuPd4Au8 cuboctahedra that share corners with four equivalent PdAu12 cuboctahedra, corners with fourteen equivalent AuPd4Au8 cuboctahedra, edges with six equivalent PdAu12 cuboctahedra, edges with twelve equivalent AuPd4Au8 cuboctahedra, faces with four equivalent PdAu12 cuboctahedra, and faces with sixteen equivalent AuPd4Au8 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.87–2.94 Å.},

  doi          = {10.17188/1686378},

  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/10.17188/1686378

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