Materials Data on ZnCuAu2 by Materials Project

doi:10.17188/1654977

Title: Materials Data on ZnCuAu2 by Materials Project

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Abstract

Au2CuZn is alpha iridium vanadium-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded in a distorted body-centered cubic geometry to six equivalent Cu and two equivalent Zn atoms. There are two shorter (2.74 Å) and four longer (2.75 Å) Au–Cu bond lengths. Both Au–Zn bond lengths are 2.73 Å. In the second Au site, Au is bonded in a distorted body-centered cubic geometry to two equivalent Cu and six equivalent Zn atoms. Both Au–Cu bond lengths are 2.73 Å. There are a spread of Au–Zn bond distances ranging from 2.75–2.80 Å. Cu is bonded in a 8-coordinate geometry to eight Au atoms. Zn is bonded in a distorted body-centered cubic geometry to eight Au atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-1215564

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; ZnCuAu2; Au-Cu-Zn

OSTI Identifier:: 1654977

DOI:: https://doi.org/10.17188/1654977

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                    The Materials Project. Materials Data on ZnCuAu2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1654977.

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                    The Materials Project. Materials Data on ZnCuAu2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654977

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                    The Materials Project. 2020.  
"Materials Data on ZnCuAu2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654977.  https://www.osti.gov/servlets/purl/1654977. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1654977,

  title        = {Materials Data on ZnCuAu2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Au2CuZn is alpha iridium vanadium-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Au sites. In the first Au site, Au is bonded in a distorted body-centered cubic geometry to six equivalent Cu and two equivalent Zn atoms. There are two shorter (2.74 Å) and four longer (2.75 Å) Au–Cu bond lengths. Both Au–Zn bond lengths are 2.73 Å. In the second Au site, Au is bonded in a distorted body-centered cubic geometry to two equivalent Cu and six equivalent Zn atoms. Both Au–Cu bond lengths are 2.73 Å. There are a spread of Au–Zn bond distances ranging from 2.75–2.80 Å. Cu is bonded in a 8-coordinate geometry to eight Au atoms. Zn is bonded in a distorted body-centered cubic geometry to eight Au atoms.},

  doi          = {10.17188/1654977},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1654977

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