Materials Data on Dy4MgNi by Materials Project

doi:10.17188/1732434

Title: Materials Data on Dy4MgNi by Materials Project

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Abstract

Dy4NiMg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Dy atoms to form a mixture of face and corner-sharing MgDy9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. There are a spread of Mg–Dy bond distances ranging from 3.28–3.53 Å. There are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Dy, and three equivalent Ni atoms. All Dy–Dy bond lengths are 3.51 Å. All Dy–Ni bond lengths are 2.79 Å. In the second Dy site, Dy is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Dy, and two equivalent Ni atoms. All Dy–Dy bond lengths are 3.62 Å. Both Dy–Ni bond lengths are 2.80 Å. In the third Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Mg, ten Dy, and two equivalent Ni atoms. All Dy–Dy bond lengths are 3.56 Å. Both Dy–Ni bond lengths are 3.51 Å. Ni is bonded in a 6-coordinate geometry to nine Dy atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-1212902

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; Dy4MgNi; Dy-Mg-Ni

OSTI Identifier:: 1732434

DOI:: https://doi.org/10.17188/1732434

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                    The Materials Project. Materials Data on Dy4MgNi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732434.

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                    The Materials Project. Materials Data on Dy4MgNi by Materials Project.  United States.  doi:https://doi.org/10.17188/1732434

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                    The Materials Project. 2020.  
"Materials Data on Dy4MgNi by Materials Project".  United States.  doi:https://doi.org/10.17188/1732434.  https://www.osti.gov/servlets/purl/1732434. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1732434,

  title        = {Materials Data on Dy4MgNi by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy4NiMg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Dy atoms to form a mixture of face and corner-sharing MgDy9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.09 Å. There are a spread of Mg–Dy bond distances ranging from 3.28–3.53 Å. There are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Dy, and three equivalent Ni atoms. All Dy–Dy bond lengths are 3.51 Å. All Dy–Ni bond lengths are 2.79 Å. In the second Dy site, Dy is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Dy, and two equivalent Ni atoms. All Dy–Dy bond lengths are 3.62 Å. Both Dy–Ni bond lengths are 2.80 Å. In the third Dy site, Dy is bonded in a 4-coordinate geometry to two equivalent Mg, ten Dy, and two equivalent Ni atoms. All Dy–Dy bond lengths are 3.56 Å. Both Dy–Ni bond lengths are 3.51 Å. Ni is bonded in a 6-coordinate geometry to nine Dy atoms.},

  doi          = {10.17188/1732434},

  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/10.17188/1732434

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