Materials Data on Mg3In by Materials Project

doi:10.17188/1274948

Title: Materials Data on Mg3In by Materials Project

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Abstract

Mg3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m 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 twelve equivalent MgMg8In4 cuboctahedra, edges with eight equivalent InMg12 cuboctahedra, edges with sixteen equivalent MgMg8In4 cuboctahedra, faces with four equivalent InMg12 cuboctahedra, and faces with fourteen equivalent MgMg8In4 cuboctahedra. All Mg–Mg bond lengths are 3.18 Å. All Mg–In bond lengths are 3.18 Å. In is bonded to twelve equivalent Mg atoms to form InMg12 cuboctahedra that share corners with twelve equivalent InMg12 cuboctahedra, edges with twenty-four equivalent MgMg8In4 cuboctahedra, faces with six equivalent InMg12 cuboctahedra, and faces with twelve equivalent MgMg8In4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-569125

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:: 1274948

DOI:: https://doi.org/10.17188/1274948

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                    The Materials Project. Materials Data on Mg3In by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274948.

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                    The Materials Project. Materials Data on Mg3In by Materials Project.  United States.  doi:https://doi.org/10.17188/1274948

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                    The Materials Project. 2020.  
"Materials Data on Mg3In by Materials Project".  United States.  doi:https://doi.org/10.17188/1274948.  https://www.osti.gov/servlets/purl/1274948. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1274948,

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

  author       = {The Materials Project},

  abstractNote = {Mg3In is Uranium Silicide structured and crystallizes in the cubic Pm-3m 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 twelve equivalent MgMg8In4 cuboctahedra, edges with eight equivalent InMg12 cuboctahedra, edges with sixteen equivalent MgMg8In4 cuboctahedra, faces with four equivalent InMg12 cuboctahedra, and faces with fourteen equivalent MgMg8In4 cuboctahedra. All Mg–Mg bond lengths are 3.18 Å. All Mg–In bond lengths are 3.18 Å. In is bonded to twelve equivalent Mg atoms to form InMg12 cuboctahedra that share corners with twelve equivalent InMg12 cuboctahedra, edges with twenty-four equivalent MgMg8In4 cuboctahedra, faces with six equivalent InMg12 cuboctahedra, and faces with twelve equivalent MgMg8In4 cuboctahedra.},

  doi          = {10.17188/1274948},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1274948

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Materials Data on Mg3In by Materials Project

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Mg3In is Uranium Silicide-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four In atoms to form distorted MgMg8In4 cuboctahedra that share corners with two equivalent InMg12 cuboctahedra, corners with thirteen MgMg8In4 cuboctahedra, edges with seven InMg12 cuboctahedra, edges with fourteen MgMg8In4 cuboctahedra, faces with four InMg12 cuboctahedra, and faces with fifteen MgMg8In4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.15–3.21 Å. There are a spread of Mg–In bond distances ranging from 3.15–3.21more »« less
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