Materials Data on Li2AlAg by Materials Project

doi:10.17188/1205474

Title: Materials Data on Li2AlAg by Materials Project

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Abstract

Li2AlAg 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 Ag, and four equivalent Al atoms to form distorted LiLi4Al4Ag6 tetrahedra that share corners with eighteen LiLi4Ag4 tetrahedra and faces with sixteen LiLi4Al4Ag6 tetrahedra. All Li–Li bond lengths are 2.74 Å. All Li–Ag bond lengths are 3.16 Å. All Li–Al bond lengths are 2.74 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Ag atoms to form distorted LiLi4Ag4 tetrahedra that share corners with twelve equivalent LiLi4Al4Ag6 tetrahedra, edges with twelve equivalent LiLi4Ag4 tetrahedra, and faces with four equivalent LiLi4Al4Ag6 tetrahedra. All Li–Ag bond lengths are 2.74 Å. Ag is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Al atoms. All Ag–Al bond lengths are 2.74 Å. Al is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ag atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-31168

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; Li2AlAg; Ag-Al-Li

OSTI Identifier:: 1205474

DOI:: https://doi.org/10.17188/1205474

Citation Formats


                    The Materials Project. Materials Data on Li2AlAg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1205474.

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                    The Materials Project. Materials Data on Li2AlAg by Materials Project.  United States.  doi:https://doi.org/10.17188/1205474

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                    The Materials Project. 2020.  
"Materials Data on Li2AlAg by Materials Project".  United States.  doi:https://doi.org/10.17188/1205474.  https://www.osti.gov/servlets/purl/1205474. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1205474,

  title        = {Materials Data on Li2AlAg by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2AlAg 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 Ag, and four equivalent Al atoms to form distorted LiLi4Al4Ag6 tetrahedra that share corners with eighteen LiLi4Ag4 tetrahedra and faces with sixteen LiLi4Al4Ag6 tetrahedra. All Li–Li bond lengths are 2.74 Å. All Li–Ag bond lengths are 3.16 Å. All Li–Al bond lengths are 2.74 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Ag atoms to form distorted LiLi4Ag4 tetrahedra that share corners with twelve equivalent LiLi4Al4Ag6 tetrahedra, edges with twelve equivalent LiLi4Ag4 tetrahedra, and faces with four equivalent LiLi4Al4Ag6 tetrahedra. All Li–Ag bond lengths are 2.74 Å. Ag is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Al atoms. All Ag–Al bond lengths are 2.74 Å. Al is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ag atoms.},

  doi          = {10.17188/1205474},

  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/10.17188/1205474

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