Materials Data on Li2GaIr by Materials Project

doi:10.17188/1205661

Title: Materials Data on Li2GaIr by Materials Project

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Abstract

Li2IrGa crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six equivalent Ir and four equivalent Ga atoms to form distorted LiGa4Ir6 tetrahedra that share corners with eighteen LiIr4 tetrahedra and faces with sixteen LiGa4Ir6 tetrahedra. All Li–Ir bond lengths are 3.00 Å. All Li–Ga bond lengths are 2.60 Å. In the second Li site, Li is bonded to four equivalent Ir atoms to form distorted LiIr4 tetrahedra that share corners with twenty-four LiIr4 tetrahedra and faces with four equivalent LiGa4Ir6 tetrahedra. All Li–Ir bond lengths are 2.60 Å. Ir is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.60 Å. Ga is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-31441

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; Li2GaIr; Ga-Ir-Li

OSTI Identifier:: 1205661

DOI:: https://doi.org/10.17188/1205661

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                    The Materials Project. Materials Data on Li2GaIr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205661.

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                    The Materials Project. Materials Data on Li2GaIr by Materials Project.  United States.  doi:https://doi.org/10.17188/1205661

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                    The Materials Project. 2020.  
"Materials Data on Li2GaIr by Materials Project".  United States.  doi:https://doi.org/10.17188/1205661.  https://www.osti.gov/servlets/purl/1205661. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205661,

  title        = {Materials Data on Li2GaIr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2IrGa crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to six equivalent Ir and four equivalent Ga atoms to form distorted LiGa4Ir6 tetrahedra that share corners with eighteen LiIr4 tetrahedra and faces with sixteen LiGa4Ir6 tetrahedra. All Li–Ir bond lengths are 3.00 Å. All Li–Ga bond lengths are 2.60 Å. In the second Li site, Li is bonded to four equivalent Ir atoms to form distorted LiIr4 tetrahedra that share corners with twenty-four LiIr4 tetrahedra and faces with four equivalent LiGa4Ir6 tetrahedra. All Li–Ir bond lengths are 2.60 Å. Ir is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.60 Å. Ga is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms.},

  doi          = {10.17188/1205661},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1205661

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