Materials Data on Li2GaAu by Materials Project

doi:10.17188/1204796

Title: Materials Data on Li2GaAu by Materials Project

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Abstract

Li2AuGa 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 four equivalent Li, six equivalent Au, and four equivalent Ga atoms to form distorted LiLi4Ga4Au6 tetrahedra that share corners with eighteen LiLi4Au4 tetrahedra and faces with sixteen LiLi4Ga4Au6 tetrahedra. All Li–Li bond lengths are 2.71 Å. All Li–Au bond lengths are 3.12 Å. All Li–Ga bond lengths are 2.71 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Au atoms to form distorted LiLi4Au4 tetrahedra that share corners with twelve equivalent LiLi4Ga4Au6 tetrahedra, edges with twelve equivalent LiLi4Au4 tetrahedra, and faces with four equivalent LiLi4Ga4Au6 tetrahedra. All Li–Au bond lengths are 2.71 Å. Au is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Ga atoms. All Au–Ga bond lengths are 2.71 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Au atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-30381

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; Li2GaAu; Au-Ga-Li

OSTI Identifier:: 1204796

DOI:: https://doi.org/10.17188/1204796

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                    The Materials Project. Materials Data on Li2GaAu by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204796.

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                    The Materials Project. Materials Data on Li2GaAu by Materials Project.  United States.  doi:https://doi.org/10.17188/1204796

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                    The Materials Project. 2020.  
"Materials Data on Li2GaAu by Materials Project".  United States.  doi:https://doi.org/10.17188/1204796.  https://www.osti.gov/servlets/purl/1204796. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1204796,

  title        = {Materials Data on Li2GaAu by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2AuGa 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 four equivalent Li, six equivalent Au, and four equivalent Ga atoms to form distorted LiLi4Ga4Au6 tetrahedra that share corners with eighteen LiLi4Au4 tetrahedra and faces with sixteen LiLi4Ga4Au6 tetrahedra. All Li–Li bond lengths are 2.71 Å. All Li–Au bond lengths are 3.12 Å. All Li–Ga bond lengths are 2.71 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Au atoms to form distorted LiLi4Au4 tetrahedra that share corners with twelve equivalent LiLi4Ga4Au6 tetrahedra, edges with twelve equivalent LiLi4Au4 tetrahedra, and faces with four equivalent LiLi4Ga4Au6 tetrahedra. All Li–Au bond lengths are 2.71 Å. Au is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Ga atoms. All Au–Ga bond lengths are 2.71 Å. Ga is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Au atoms.},

  doi          = {10.17188/1204796},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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