Materials Data on Y4MgNi by Materials Project

doi:10.17188/1677382

Title: Materials Data on Y4MgNi by Materials Project

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Abstract

Y4NiMg 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 3.09 Å. There are a spread of Mg–Y bond distances ranging from 3.29–3.52 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Y, and two equivalent Ni atoms. All Y–Y bond lengths are 3.63 Å. Both Y–Ni bond lengths are 2.80 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to two equivalent Mg, ten Y, and two equivalent Ni atoms. There are two shorter (3.53 Å) and four longer (3.56 Å) Y–Y bond lengths. Both Y–Ni bond lengths are 3.53 Å. In the third Y site, Y is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Y, and three equivalent Ni atoms. All Y–Ni bond lengths are 2.81 Å. Ni is bonded in a 6-coordinate geometry to nine Y atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1207825

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; Y4MgNi; Mg-Ni-Y

OSTI Identifier:: 1677382

DOI:: https://doi.org/10.17188/1677382

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                    The Materials Project. Materials Data on Y4MgNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677382.

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                    The Materials Project. Materials Data on Y4MgNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1677382

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                    The Materials Project. 2020.  
"Materials Data on Y4MgNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1677382.  https://www.osti.gov/servlets/purl/1677382. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1677382,

  title        = {Materials Data on Y4MgNi by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y4NiMg 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 3.09 Å. There are a spread of Mg–Y bond distances ranging from 3.29–3.52 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Y, and two equivalent Ni atoms. All Y–Y bond lengths are 3.63 Å. Both Y–Ni bond lengths are 2.80 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to two equivalent Mg, ten Y, and two equivalent Ni atoms. There are two shorter (3.53 Å) and four longer (3.56 Å) Y–Y bond lengths. Both Y–Ni bond lengths are 3.53 Å. In the third Y site, Y is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Y, and three equivalent Ni atoms. All Y–Ni bond lengths are 2.81 Å. Ni is bonded in a 6-coordinate geometry to nine Y atoms.},

  doi          = {10.17188/1677382},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1677382

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