Materials Data on Li2Al2SiO6 by Materials Project

doi:10.17188/1721972

Title: Materials Data on Li2Al2SiO6 by Materials Project

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Abstract

Li2Al2SiO6 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.05 Å) Li–O bond lengths. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra and corners with two equivalent SiO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.77 Å) Al–O bond length. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO4 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 distorted T-shaped geometry to one Li1+, one Al3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Al3+ atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1222720

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; Li2Al2SiO6; Al-Li-O-Si

OSTI Identifier:: 1721972

DOI:: https://doi.org/10.17188/1721972

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                    The Materials Project. Materials Data on Li2Al2SiO6 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1721972.

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                    The Materials Project. Materials Data on Li2Al2SiO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1721972

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                    The Materials Project. 2019.  
"Materials Data on Li2Al2SiO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1721972.  https://www.osti.gov/servlets/purl/1721972. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1721972,

  title        = {Materials Data on Li2Al2SiO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2Al2SiO6 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.05 Å) Li–O bond lengths. Al3+ is bonded to four O2- atoms to form AlO4 tetrahedra that share corners with two equivalent AlO4 tetrahedra and corners with two equivalent SiO4 tetrahedra. There is two shorter (1.76 Å) and two longer (1.77 Å) Al–O bond length. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent AlO4 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 distorted T-shaped geometry to one Li1+, one Al3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent Al3+ atoms.},

  doi          = {10.17188/1721972},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1721972

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