Materials Data on Nd4MgIr by Materials Project

doi:10.17188/1273818

Title: Materials Data on Nd4MgIr by Materials Project

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Abstract

MgNd4Ir crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Nd atoms to form a mixture of corner and face-sharing MgNd9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.16 Å. There are a spread of Mg–Nd bond distances ranging from 3.44–3.66 Å. There are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Ir atoms. All Nd–Ir bond lengths are 2.92 Å. In the second Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Ir atoms. Both Nd–Ir bond lengths are 2.92 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Ir atoms. Both Nd–Ir bond lengths are 3.62 Å. Ir is bonded in a 6-coordinate geometry to nine Nd atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-567342

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; Nd4MgIr; Ir-Mg-Nd

OSTI Identifier:: 1273818

DOI:: https://doi.org/10.17188/1273818

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                    The Materials Project. Materials Data on Nd4MgIr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273818.

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                    The Materials Project. Materials Data on Nd4MgIr by Materials Project.  United States.  doi:https://doi.org/10.17188/1273818

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                    The Materials Project. 2020.  
"Materials Data on Nd4MgIr by Materials Project".  United States.  doi:https://doi.org/10.17188/1273818.  https://www.osti.gov/servlets/purl/1273818. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1273818,

  title        = {Materials Data on Nd4MgIr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgNd4Ir crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Nd atoms to form a mixture of corner and face-sharing MgNd9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.16 Å. There are a spread of Mg–Nd bond distances ranging from 3.44–3.66 Å. There are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Mg and three equivalent Ir atoms. All Nd–Ir bond lengths are 2.92 Å. In the second Nd site, Nd is bonded in a bent 150 degrees geometry to two equivalent Mg and two equivalent Ir atoms. Both Nd–Ir bond lengths are 2.92 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Mg and two equivalent Ir atoms. Both Nd–Ir bond lengths are 3.62 Å. Ir is bonded in a 6-coordinate geometry to nine Nd atoms.},

  doi          = {10.17188/1273818},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1273818

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