Materials Data on Li8Al3Si5 by Materials Project

doi:10.17188/1204554

Title: Materials Data on Li8Al3Si5 by Materials Project

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Abstract

Li8Al3Si5 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded to three equivalent Al and one Si atom to form distorted corner-sharing LiAl3Si tetrahedra. All Li–Al bond lengths are 2.71 Å. The Li–Si bond length is 2.67 Å. In the second Li site, Li is bonded to four equivalent Si atoms to form distorted corner-sharing LiSi4 tetrahedra. All Li–Si bond lengths are 2.67 Å. In the third Li site, Li is bonded to four equivalent Si atoms to form distorted corner-sharing LiSi4 tetrahedra. All Li–Si bond lengths are 2.72 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Si atoms. All Al–Si bond lengths are 2.69 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to four Li and three equivalent Al atoms. In the second Si site, Si is bonded in a distorted tetrahedral geometry to four equivalent Li atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-30134

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; Li8Al3Si5; Al-Li-Si

OSTI Identifier:: 1204554

DOI:: https://doi.org/10.17188/1204554

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                    The Materials Project. Materials Data on Li8Al3Si5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204554.

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                    The Materials Project. Materials Data on Li8Al3Si5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204554

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                    The Materials Project. 2020.  
"Materials Data on Li8Al3Si5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204554.  https://www.osti.gov/servlets/purl/1204554. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1204554,

  title        = {Materials Data on Li8Al3Si5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li8Al3Si5 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are three inequivalent Li sites. In the first Li site, Li is bonded to three equivalent Al and one Si atom to form distorted corner-sharing LiAl3Si tetrahedra. All Li–Al bond lengths are 2.71 Å. The Li–Si bond length is 2.67 Å. In the second Li site, Li is bonded to four equivalent Si atoms to form distorted corner-sharing LiSi4 tetrahedra. All Li–Si bond lengths are 2.67 Å. In the third Li site, Li is bonded to four equivalent Si atoms to form distorted corner-sharing LiSi4 tetrahedra. All Li–Si bond lengths are 2.72 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Si atoms. All Al–Si bond lengths are 2.69 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to four Li and three equivalent Al atoms. In the second Si site, Si is bonded in a distorted tetrahedral geometry to four equivalent Li atoms.},

  doi          = {10.17188/1204554},

  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/10.17188/1204554

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