Materials Data on Mg13Ir3 by Materials Project

doi:10.17188/1192210

Title: Materials Data on Mg13Ir3 by Materials Project

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Abstract

Mg13Ir3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a linear geometry to two equivalent Ir atoms. Both Mg–Ir bond lengths are 2.73 Å. In the second Mg site, Mg is bonded in a bent 150 degrees geometry to two equivalent Ir atoms. Both Mg–Ir bond lengths are 2.75 Å. In the third Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Ir atoms. All Mg–Ir bond lengths are 2.77 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.71 Å) and one longer (2.83 Å) Mg–Ir bond lengths. Ir is bonded in a 9-coordinate geometry to nine Mg atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-16860

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; Mg13Ir3; Ir-Mg

OSTI Identifier:: 1192210

DOI:: https://doi.org/10.17188/1192210

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                    The Materials Project. Materials Data on Mg13Ir3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192210.

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                    The Materials Project. Materials Data on Mg13Ir3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192210

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                    The Materials Project. 2020.  
"Materials Data on Mg13Ir3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192210.  https://www.osti.gov/servlets/purl/1192210. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1192210,

  title        = {Materials Data on Mg13Ir3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg13Ir3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a linear geometry to two equivalent Ir atoms. Both Mg–Ir bond lengths are 2.73 Å. In the second Mg site, Mg is bonded in a bent 150 degrees geometry to two equivalent Ir atoms. Both Mg–Ir bond lengths are 2.75 Å. In the third Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Ir atoms. All Mg–Ir bond lengths are 2.77 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.71 Å) and one longer (2.83 Å) Mg–Ir bond lengths. Ir is bonded in a 9-coordinate geometry to nine Mg atoms.},

  doi          = {10.17188/1192210},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1192210

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