Materials Data on MgIn2 by Materials Project

doi:10.17188/1706797

Title: Materials Data on MgIn2 by Materials Project

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Abstract

MgIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten In atoms to form distorted MgMg2In10 cuboctahedra that share corners with six equivalent MgMg2In10 cuboctahedra, corners with twelve InMg4In8 cuboctahedra, edges with eight equivalent MgMg2In10 cuboctahedra, edges with ten InMg4In8 cuboctahedra, faces with six equivalent MgMg2In10 cuboctahedra, and faces with fourteen InMg4In8 cuboctahedra. Both Mg–Mg bond lengths are 3.23 Å. There are a spread of Mg–In bond distances ranging from 3.21–3.39 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Mg and eight In atoms to form distorted InMg4In8 cuboctahedra that share corners with six equivalent MgMg2In10 cuboctahedra, corners with twelve InMg4In8 cuboctahedra, edges with three equivalent MgMg2In10 cuboctahedra, edges with fifteen InMg4In8 cuboctahedra, faces with eight equivalent MgMg2In10 cuboctahedra, and faces with twelve InMg4In8 cuboctahedra. There are a spread of In–In bond distances ranging from 3.23–3.35 Å. In the second In site, In is bonded to six equivalent Mg and six In atoms to form distorted InMg6In6 cuboctahedra that share corners with six equivalent MgMg2In10 cuboctahedra, corners with twelve InMg4In8 cuboctahedra, edges with seven equivalent MgMg2In10 cuboctahedra, edges withmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1185916

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:: 1706797

DOI:: https://doi.org/10.17188/1706797

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                    The Materials Project. Materials Data on MgIn2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1706797.

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                    The Materials Project. Materials Data on MgIn2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1706797

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                    The Materials Project. 2020.  
"Materials Data on MgIn2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1706797.  https://www.osti.gov/servlets/purl/1706797. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1706797,

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

  author       = {The Materials Project},

  abstractNote = {MgIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded to two equivalent Mg and ten In atoms to form distorted MgMg2In10 cuboctahedra that share corners with six equivalent MgMg2In10 cuboctahedra, corners with twelve InMg4In8 cuboctahedra, edges with eight equivalent MgMg2In10 cuboctahedra, edges with ten InMg4In8 cuboctahedra, faces with six equivalent MgMg2In10 cuboctahedra, and faces with fourteen InMg4In8 cuboctahedra. Both Mg–Mg bond lengths are 3.23 Å. There are a spread of Mg–In bond distances ranging from 3.21–3.39 Å. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Mg and eight In atoms to form distorted InMg4In8 cuboctahedra that share corners with six equivalent MgMg2In10 cuboctahedra, corners with twelve InMg4In8 cuboctahedra, edges with three equivalent MgMg2In10 cuboctahedra, edges with fifteen InMg4In8 cuboctahedra, faces with eight equivalent MgMg2In10 cuboctahedra, and faces with twelve InMg4In8 cuboctahedra. There are a spread of In–In bond distances ranging from 3.23–3.35 Å. In the second In site, In is bonded to six equivalent Mg and six In atoms to form distorted InMg6In6 cuboctahedra that share corners with six equivalent MgMg2In10 cuboctahedra, corners with twelve InMg4In8 cuboctahedra, edges with seven equivalent MgMg2In10 cuboctahedra, edges with eleven equivalent InMg4In8 cuboctahedra, faces with six equivalent MgMg2In10 cuboctahedra, and faces with fourteen InMg4In8 cuboctahedra. There are two shorter (3.23 Å) and two longer (3.34 Å) In–In bond lengths.},

  doi          = {10.17188/1706797},

  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/10.17188/1706797

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Materials Data on MgIn2 by Materials Project

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MgIn2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight In atoms. There are a spread of Mg–In bond distances ranging from 3.16–3.37 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to eight In atoms. There are a spread of Mg–In bond distances ranging from 3.11–3.31 Å. There are four inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to three Mg and nine In atoms. Theremore »« less

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