Materials Data on MgIn3 by Materials Project

doi:10.17188/1314072

Title: Materials Data on MgIn3 by Materials Project

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Abstract

MgIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve In atoms to form MgIn12 cuboctahedra that share corners with four equivalent MgIn12 cuboctahedra, corners with eight equivalent InMg4In8 cuboctahedra, edges with eight equivalent MgIn12 cuboctahedra, edges with sixteen equivalent InMg4In8 cuboctahedra, faces with four equivalent MgIn12 cuboctahedra, and faces with fourteen InMg4In8 cuboctahedra. There are four shorter (3.26 Å) and eight longer (3.34 Å) Mg–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Mg and eight equivalent In atoms to form distorted InMg4In8 cuboctahedra that share corners with four equivalent InMg4In8 cuboctahedra, corners with eight equivalent MgIn12 cuboctahedra, edges with twenty-four InMg4In8 cuboctahedra, faces with six equivalent MgIn12 cuboctahedra, and faces with twelve InMg4In8 cuboctahedra. All In–In bond lengths are 3.34 Å. In the second In site, In is bonded to four equivalent Mg and eight In atoms to form distorted InMg4In8 cuboctahedra that share corners with twelve equivalent InMg4In8 cuboctahedra, edges with eight equivalent MgIn12 cuboctahedra, edges with sixteen InMg4In8 cuboctahedra, faces with four equivalent MgIn12 cuboctahedra, and faces with fourteen InMg4In8 cuboctahedra. All In–Inmore » bond lengths are 3.26 Å.« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-973308

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; MgIn3; In-Mg

OSTI Identifier:: 1314072

DOI:: https://doi.org/10.17188/1314072

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                    The Materials Project. Materials Data on MgIn3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314072.

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                    The Materials Project. Materials Data on MgIn3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314072

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                    The Materials Project. 2020.  
"Materials Data on MgIn3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314072.  https://www.osti.gov/servlets/purl/1314072. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1314072,

  title        = {Materials Data on MgIn3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve In atoms to form MgIn12 cuboctahedra that share corners with four equivalent MgIn12 cuboctahedra, corners with eight equivalent InMg4In8 cuboctahedra, edges with eight equivalent MgIn12 cuboctahedra, edges with sixteen equivalent InMg4In8 cuboctahedra, faces with four equivalent MgIn12 cuboctahedra, and faces with fourteen InMg4In8 cuboctahedra. There are four shorter (3.26 Å) and eight longer (3.34 Å) Mg–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Mg and eight equivalent In atoms to form distorted InMg4In8 cuboctahedra that share corners with four equivalent InMg4In8 cuboctahedra, corners with eight equivalent MgIn12 cuboctahedra, edges with twenty-four InMg4In8 cuboctahedra, faces with six equivalent MgIn12 cuboctahedra, and faces with twelve InMg4In8 cuboctahedra. All In–In bond lengths are 3.34 Å. In the second In site, In is bonded to four equivalent Mg and eight In atoms to form distorted InMg4In8 cuboctahedra that share corners with twelve equivalent InMg4In8 cuboctahedra, edges with eight equivalent MgIn12 cuboctahedra, edges with sixteen InMg4In8 cuboctahedra, faces with four equivalent MgIn12 cuboctahedra, and faces with fourteen InMg4In8 cuboctahedra. All In–In bond lengths are 3.26 Å.},

  doi          = {10.17188/1314072},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1314072

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