Materials Data on ZrGaPt by Materials Project

doi:10.17188/1277319

Title: Materials Data on ZrGaPt by Materials Project

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Abstract

PtGaZr crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Pt and six equivalent Ga atoms. There are a spread of Zr–Pt bond distances ranging from 2.81–2.89 Å. There are a spread of Zr–Ga bond distances ranging from 3.01–3.17 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Ga atoms. All Pt–Ga bond lengths are 2.68 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Ga atoms. All Pt–Ga bond lengths are 2.63 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four Pt atoms.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-601253

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; ZrGaPt; Ga-Pt-Zr

OSTI Identifier:: 1277319

DOI:: https://doi.org/10.17188/1277319

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                    The Materials Project. Materials Data on ZrGaPt by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1277319.

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                    The Materials Project. Materials Data on ZrGaPt by Materials Project.  United States.  doi:https://doi.org/10.17188/1277319

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                    The Materials Project. 2020.  
"Materials Data on ZrGaPt by Materials Project".  United States.  doi:https://doi.org/10.17188/1277319.  https://www.osti.gov/servlets/purl/1277319. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1277319,

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

  author       = {The Materials Project},

  abstractNote = {PtGaZr crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Pt and six equivalent Ga atoms. There are a spread of Zr–Pt bond distances ranging from 2.81–2.89 Å. There are a spread of Zr–Ga bond distances ranging from 3.01–3.17 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Ga atoms. All Pt–Ga bond lengths are 2.68 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Ga atoms. All Pt–Ga bond lengths are 2.63 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four Pt atoms.},

  doi          = {10.17188/1277319},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1277319

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