Materials Data on LiGaO2 by Materials Project

doi:10.17188/1754021

Title: Materials Data on LiGaO2 by Materials Project

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Abstract

LiGaO2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with eight equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.93 Å) and four longer (2.12 Å) Li–O bond lengths. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent GaO6 octahedra, edges with four equivalent GaO6 octahedra, and edges with eight equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.93 Å) and four longer (2.12 Å) Ga–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Li1+ and two equivalent Ga3+ atoms to form a mixture of edge and corner-sharing OLi4Ga2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to two equivalent Li1+ and four equivalent Ga3+ atoms to form OLi2Ga4 octahedra that share corners with six equivalent OLi2Ga4 octahedra and edges with twelve OLi4Ga2 octahedra. The corner-sharing octahedralmore » tilt angles are 0°.« less

Authors:: The Materials Project

Publication Date:: 2020-05-05

Other Number(s):: mp-1222306

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; LiGaO2; Ga-Li-O

OSTI Identifier:: 1754021

DOI:: https://doi.org/10.17188/1754021

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                    The Materials Project. Materials Data on LiGaO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1754021.

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                    The Materials Project. Materials Data on LiGaO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1754021

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                    The Materials Project. 2020.  
"Materials Data on LiGaO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1754021.  https://www.osti.gov/servlets/purl/1754021. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1754021,

  title        = {Materials Data on LiGaO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiGaO2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, and edges with eight equivalent GaO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.93 Å) and four longer (2.12 Å) Li–O bond lengths. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent GaO6 octahedra, edges with four equivalent GaO6 octahedra, and edges with eight equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.93 Å) and four longer (2.12 Å) Ga–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Li1+ and two equivalent Ga3+ atoms to form a mixture of edge and corner-sharing OLi4Ga2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to two equivalent Li1+ and four equivalent Ga3+ atoms to form OLi2Ga4 octahedra that share corners with six equivalent OLi2Ga4 octahedra and edges with twelve OLi4Ga2 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1754021},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1754021

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