Materials Data on Li4Al3Si3ClO12 by Materials Project

doi:10.17188/1199636

Title: Materials Data on Li4Al3Si3ClO12 by Materials Project

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Abstract

Li4Al3Si3O12Cl crystallizes in the cubic P-43n space group. The structure is three-dimensional. Li1+ is bonded to three equivalent O2- and one Cl1- atom to form LiClO3 tetrahedra that share corners with three equivalent LiClO3 tetrahedra, corners with three equivalent AlO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. All Li–O bond lengths are 2.05 Å. The Li–Cl bond length is 2.57 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent LiClO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.77 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent LiClO3 tetrahedra and corners with four equivalent AlO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a trigonal planar geometry to one Li1+, one Al3+, and one Si4+ atom. Cl1- is bonded in a tetrahedral geometry to four equivalent Li1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-23648

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; Li4Al3Si3ClO12; Al-Cl-Li-O-Si

OSTI Identifier:: 1199636

DOI:: https://doi.org/10.17188/1199636

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                    The Materials Project. Materials Data on Li4Al3Si3ClO12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199636.

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                    The Materials Project. Materials Data on Li4Al3Si3ClO12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199636

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                    The Materials Project. 2020.  
"Materials Data on Li4Al3Si3ClO12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199636.  https://www.osti.gov/servlets/purl/1199636. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1199636,

  title        = {Materials Data on Li4Al3Si3ClO12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li4Al3Si3O12Cl crystallizes in the cubic P-43n space group. The structure is three-dimensional. Li1+ is bonded to three equivalent O2- and one Cl1- atom to form LiClO3 tetrahedra that share corners with three equivalent LiClO3 tetrahedra, corners with three equivalent AlO4 tetrahedra, and corners with three equivalent SiO4 tetrahedra. All Li–O bond lengths are 2.05 Å. The Li–Cl bond length is 2.57 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent LiClO3 tetrahedra and corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.77 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent LiClO3 tetrahedra and corners with four equivalent AlO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a trigonal planar geometry to one Li1+, one Al3+, and one Si4+ atom. Cl1- is bonded in a tetrahedral geometry to four equivalent Li1+ atoms.},

  doi          = {10.17188/1199636},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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