Materials Data on Mg3In by Materials Project

doi:10.17188/1748133

Title: Materials Data on Mg3In by Materials Project

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Abstract

Mg3In is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent In atoms to form distorted MgMg8In4 cuboctahedra that share corners with four equivalent InMg12 cuboctahedra, corners with fourteen equivalent MgMg8In4 cuboctahedra, edges with six equivalent InMg12 cuboctahedra, edges with twelve equivalent MgMg8In4 cuboctahedra, faces with four equivalent InMg12 cuboctahedra, and faces with sixteen equivalent MgMg8In4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.20 Å. There are two shorter (3.17 Å) and two longer (3.21 Å) Mg–In bond lengths. In is bonded to twelve equivalent Mg atoms to form InMg12 cuboctahedra that share corners with six equivalent InMg12 cuboctahedra, corners with twelve equivalent MgMg8In4 cuboctahedra, edges with eighteen equivalent MgMg8In4 cuboctahedra, faces with eight equivalent InMg12 cuboctahedra, and faces with twelve equivalent MgMg8In4 cuboctahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-1079072

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; Mg3In; In-Mg

OSTI Identifier:: 1748133

DOI:: https://doi.org/10.17188/1748133

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                    The Materials Project. Materials Data on Mg3In by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748133.

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                    The Materials Project. Materials Data on Mg3In by Materials Project.  United States.  doi:https://doi.org/10.17188/1748133

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                    The Materials Project. 2020.  
"Materials Data on Mg3In by Materials Project".  United States.  doi:https://doi.org/10.17188/1748133.  https://www.osti.gov/servlets/purl/1748133. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1748133,

  title        = {Materials Data on Mg3In by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg3In is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent In atoms to form distorted MgMg8In4 cuboctahedra that share corners with four equivalent InMg12 cuboctahedra, corners with fourteen equivalent MgMg8In4 cuboctahedra, edges with six equivalent InMg12 cuboctahedra, edges with twelve equivalent MgMg8In4 cuboctahedra, faces with four equivalent InMg12 cuboctahedra, and faces with sixteen equivalent MgMg8In4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.20 Å. There are two shorter (3.17 Å) and two longer (3.21 Å) Mg–In bond lengths. In is bonded to twelve equivalent Mg atoms to form InMg12 cuboctahedra that share corners with six equivalent InMg12 cuboctahedra, corners with twelve equivalent MgMg8In4 cuboctahedra, edges with eighteen equivalent MgMg8In4 cuboctahedra, faces with eight equivalent InMg12 cuboctahedra, and faces with twelve equivalent MgMg8In4 cuboctahedra.},

  doi          = {10.17188/1748133},

  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/10.17188/1748133

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Materials Data on Mg3In by Materials Project

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