Materials Data on Y4MgPt by Materials Project

doi:10.17188/1675706

Title: Materials Data on Y4MgPt by Materials Project

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Abstract

MgY4Pt crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Y atoms to form a mixture of face and corner-sharing MgY9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.14 Å. There are a spread of Mg–Y bond distances ranging from 3.34–3.57 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Y, and three equivalent Pt atoms. All Y–Y bond lengths are 3.58 Å. All Y–Pt bond lengths are 2.88 Å. In the second Y site, Y is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Y, and two equivalent Pt atoms. All Y–Y bond lengths are 3.69 Å. Both Y–Pt bond lengths are 2.87 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to two equivalent Mg, ten Y, and two equivalent Pt atoms. All Y–Y bond lengths are 3.62 Å. Both Y–Pt bond lengths are 3.57 Å. Pt is bonded in a 6-coordinate geometry to nine Y atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1207810

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; Y4MgPt; Mg-Pt-Y

OSTI Identifier:: 1675706

DOI:: https://doi.org/10.17188/1675706

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                    The Materials Project. Materials Data on Y4MgPt by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675706.

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                    The Materials Project. Materials Data on Y4MgPt by Materials Project.  United States.  doi:https://doi.org/10.17188/1675706

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                    The Materials Project. 2020.  
"Materials Data on Y4MgPt by Materials Project".  United States.  doi:https://doi.org/10.17188/1675706.  https://www.osti.gov/servlets/purl/1675706. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1675706,

  title        = {Materials Data on Y4MgPt by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgY4Pt crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Y atoms to form a mixture of face and corner-sharing MgY9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.14 Å. There are a spread of Mg–Y bond distances ranging from 3.34–3.57 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Y, and three equivalent Pt atoms. All Y–Y bond lengths are 3.58 Å. All Y–Pt bond lengths are 2.88 Å. In the second Y site, Y is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Y, and two equivalent Pt atoms. All Y–Y bond lengths are 3.69 Å. Both Y–Pt bond lengths are 2.87 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to two equivalent Mg, ten Y, and two equivalent Pt atoms. All Y–Y bond lengths are 3.62 Å. Both Y–Pt bond lengths are 3.57 Å. Pt is bonded in a 6-coordinate geometry to nine Y atoms.},

  doi          = {10.17188/1675706},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1675706

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