Materials Data on ZrGaAu by Materials Project

doi:10.17188/1189283

Title: Materials Data on ZrGaAu by Materials Project

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Abstract

ZrAuGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to six equivalent Au atoms. All Zr–Au bond lengths are 2.93 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ga atoms. All Zr–Au bond lengths are 3.19 Å. All Zr–Ga bond lengths are 2.93 Å. Au is bonded in a 6-coordinate geometry to six Zr, one Au, and three equivalent Ga atoms. The Au–Au bond length is 2.92 Å. All Au–Ga bond lengths are 2.58 Å. Ga is bonded in a 3-coordinate geometry to three equivalent Zr and three equivalent Au atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-12951

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; ZrGaAu; Au-Ga-Zr

OSTI Identifier:: 1189283

DOI:: https://doi.org/10.17188/1189283

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                    The Materials Project. Materials Data on ZrGaAu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189283.

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                    The Materials Project. Materials Data on ZrGaAu by Materials Project.  United States.  doi:https://doi.org/10.17188/1189283

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                    The Materials Project. 2020.  
"Materials Data on ZrGaAu by Materials Project".  United States.  doi:https://doi.org/10.17188/1189283.  https://www.osti.gov/servlets/purl/1189283. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1189283,

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

  author       = {The Materials Project},

  abstractNote = {ZrAuGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to six equivalent Au atoms. All Zr–Au bond lengths are 2.93 Å. In the second Zr site, Zr is bonded in a 12-coordinate geometry to six equivalent Au and six equivalent Ga atoms. All Zr–Au bond lengths are 3.19 Å. All Zr–Ga bond lengths are 2.93 Å. Au is bonded in a 6-coordinate geometry to six Zr, one Au, and three equivalent Ga atoms. The Au–Au bond length is 2.92 Å. All Au–Ga bond lengths are 2.58 Å. Ga is bonded in a 3-coordinate geometry to three equivalent Zr and three equivalent Au atoms.},

  doi          = {10.17188/1189283},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189283

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