Materials Data on MgIn2 by Materials Project

doi:10.17188/1732082

Title: Materials Data on MgIn2 by Materials Project

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Abstract

MgIn2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six In atoms to form distorted MgIn6 cuboctahedra that share corners with six equivalent MgIn6 cuboctahedra, corners with six equivalent InIn12 cuboctahedra, edges with six equivalent MgIn6 cuboctahedra, a faceface with one MgIn6 cuboctahedra, and a faceface with one InIn12 cuboctahedra. There are three shorter (3.18 Å) and three longer (3.20 Å) Mg–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to three equivalent Mg and three equivalent In atoms. All In–In bond lengths are 3.48 Å. In the second In site, In is bonded to twelve In atoms to form InIn12 cuboctahedra that share corners with six equivalent InIn12 cuboctahedra, corners with twelve equivalent MgIn6 cuboctahedra, edges with six equivalent InIn12 cuboctahedra, faces with two equivalent MgIn6 cuboctahedra, and faces with six equivalent InIn12 cuboctahedra. All In–In bond lengths are 3.33 Å. In the third In site, In is bonded to six equivalent Mg atoms to form distorted edge-sharing InMg6 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1185913

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; MgIn2; In-Mg

OSTI Identifier:: 1732082

DOI:: https://doi.org/10.17188/1732082

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                    The Materials Project. Materials Data on MgIn2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732082.

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                    The Materials Project. Materials Data on MgIn2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732082

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                    The Materials Project. 2020.  
"Materials Data on MgIn2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732082.  https://www.osti.gov/servlets/purl/1732082. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1732082,

  title        = {Materials Data on MgIn2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgIn2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mg is bonded to six In atoms to form distorted MgIn6 cuboctahedra that share corners with six equivalent MgIn6 cuboctahedra, corners with six equivalent InIn12 cuboctahedra, edges with six equivalent MgIn6 cuboctahedra, a faceface with one MgIn6 cuboctahedra, and a faceface with one InIn12 cuboctahedra. There are three shorter (3.18 Å) and three longer (3.20 Å) Mg–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to three equivalent Mg and three equivalent In atoms. All In–In bond lengths are 3.48 Å. In the second In site, In is bonded to twelve In atoms to form InIn12 cuboctahedra that share corners with six equivalent InIn12 cuboctahedra, corners with twelve equivalent MgIn6 cuboctahedra, edges with six equivalent InIn12 cuboctahedra, faces with two equivalent MgIn6 cuboctahedra, and faces with six equivalent InIn12 cuboctahedra. All In–In bond lengths are 3.33 Å. In the third In site, In is bonded to six equivalent Mg atoms to form distorted edge-sharing InMg6 cuboctahedra.},

  doi          = {10.17188/1732082},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1732082

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