Materials Data on In3Ga by Materials Project

doi:10.17188/1708649

Title: Materials Data on In3Ga by Materials Project

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Abstract

In3Ga is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent In sites. In the first In site, In is bonded to eight In and four equivalent Ga atoms to form InIn8Ga4 cuboctahedra that share corners with twelve equivalent InIn8Ga4 cuboctahedra, edges with eight equivalent GaIn12 cuboctahedra, edges with sixteen InIn8Ga4 cuboctahedra, faces with four equivalent GaIn12 cuboctahedra, and faces with fourteen InIn8Ga4 cuboctahedra. There are four shorter (3.26 Å) and four longer (3.37 Å) In–In bond lengths. All In–Ga bond lengths are 3.26 Å. In the second In site, In is bonded to eight equivalent In and four equivalent Ga atoms to form InIn8Ga4 cuboctahedra that share corners with four equivalent InIn8Ga4 cuboctahedra, corners with eight equivalent GaIn12 cuboctahedra, edges with twenty-four InIn8Ga4 cuboctahedra, faces with six equivalent GaIn12 cuboctahedra, and faces with twelve InIn8Ga4 cuboctahedra. All In–Ga bond lengths are 3.37 Å. Ga is bonded to twelve In atoms to form distorted GaIn12 cuboctahedra that share corners with four equivalent GaIn12 cuboctahedra, corners with eight equivalent InIn8Ga4 cuboctahedra, edges with eight equivalent GaIn12 cuboctahedra, edges with sixteen equivalent InIn8Ga4 cuboctahedra, faces with four equivalent GaIn12 cuboctahedra, andmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1184904

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; In3Ga; Ga-In

OSTI Identifier:: 1708649

DOI:: https://doi.org/10.17188/1708649

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                    The Materials Project. Materials Data on In3Ga by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1708649.

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                    The Materials Project. Materials Data on In3Ga by Materials Project.  United States.  doi:https://doi.org/10.17188/1708649

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                    The Materials Project. 2020.  
"Materials Data on In3Ga by Materials Project".  United States.  doi:https://doi.org/10.17188/1708649.  https://www.osti.gov/servlets/purl/1708649. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1708649,

  title        = {Materials Data on In3Ga by Materials Project},

  author       = {The Materials Project},

  abstractNote = {In3Ga is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent In sites. In the first In site, In is bonded to eight In and four equivalent Ga atoms to form InIn8Ga4 cuboctahedra that share corners with twelve equivalent InIn8Ga4 cuboctahedra, edges with eight equivalent GaIn12 cuboctahedra, edges with sixteen InIn8Ga4 cuboctahedra, faces with four equivalent GaIn12 cuboctahedra, and faces with fourteen InIn8Ga4 cuboctahedra. There are four shorter (3.26 Å) and four longer (3.37 Å) In–In bond lengths. All In–Ga bond lengths are 3.26 Å. In the second In site, In is bonded to eight equivalent In and four equivalent Ga atoms to form InIn8Ga4 cuboctahedra that share corners with four equivalent InIn8Ga4 cuboctahedra, corners with eight equivalent GaIn12 cuboctahedra, edges with twenty-four InIn8Ga4 cuboctahedra, faces with six equivalent GaIn12 cuboctahedra, and faces with twelve InIn8Ga4 cuboctahedra. All In–Ga bond lengths are 3.37 Å. Ga is bonded to twelve In atoms to form distorted GaIn12 cuboctahedra that share corners with four equivalent GaIn12 cuboctahedra, corners with eight equivalent InIn8Ga4 cuboctahedra, edges with eight equivalent GaIn12 cuboctahedra, edges with sixteen equivalent InIn8Ga4 cuboctahedra, faces with four equivalent GaIn12 cuboctahedra, and faces with fourteen InIn8Ga4 cuboctahedra.},

  doi          = {10.17188/1708649},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1708649

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