Materials Data on LiAl(SiO3)2 by Materials Project

doi:10.17188/1709496

Title: Materials Data on LiAl(SiO3)2 by Materials Project

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Abstract

LiAlSi2O6 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 1.99 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.76 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra and corners with two equivalent SiO4 tetrahedra. All Si–O bond lengths are 1.63 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Al3+, and one Si4+ atom.

Authors:: The Materials Project

Publication Date:: Sat Jan 12 00:00:00 EST 2019

Other Number(s):: mp-1222469

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; LiAl(SiO3)2; Al-Li-O-Si

OSTI Identifier:: 1709496

DOI:: https://doi.org/10.17188/1709496

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                    The Materials Project. Materials Data on LiAl(SiO3)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1709496.

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                    The Materials Project. Materials Data on LiAl(SiO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1709496

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                    The Materials Project. 2019.  
"Materials Data on LiAl(SiO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1709496.  https://www.osti.gov/servlets/purl/1709496. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1709496,

  title        = {Materials Data on LiAl(SiO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiAlSi2O6 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 1.99 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Al–O bond lengths are 1.76 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra and corners with two equivalent SiO4 tetrahedra. All Si–O bond lengths are 1.63 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Al3+, and one Si4+ atom.},

  doi          = {10.17188/1709496},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jan 12 00:00:00 EST 2019},

  month        = {Sat Jan 12 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1709496

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