Materials Data on LiO2 by Materials Project

doi:10.17188/1350432

Title: Materials Data on LiO2 by Materials Project

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Abstract

LiO2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with eight equivalent LiO6 octahedra, corners with six equivalent OLi3O tetrahedra, and edges with two equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are two shorter (2.10 Å) and four longer (2.13 Å) Li–O bond lengths. O is bonded to three equivalent Li and one O atom to form distorted OLi3O tetrahedra that share corners with three equivalent LiO6 octahedra, corners with thirteen equivalent OLi3O tetrahedra, and an edgeedge with one OLi3O tetrahedra. The corner-sharing octahedra tilt angles range from 65–66°. The O–O bond length is 1.34 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-1018789

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; LiO2; Li-O

OSTI Identifier:: 1350432

DOI:: https://doi.org/10.17188/1350432

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                    The Materials Project. Materials Data on LiO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350432.

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                    The Materials Project. Materials Data on LiO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350432

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                    The Materials Project. 2020.  
"Materials Data on LiO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350432.  https://www.osti.gov/servlets/purl/1350432. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1350432,

  title        = {Materials Data on LiO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiO2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with eight equivalent LiO6 octahedra, corners with six equivalent OLi3O tetrahedra, and edges with two equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are two shorter (2.10 Å) and four longer (2.13 Å) Li–O bond lengths. O is bonded to three equivalent Li and one O atom to form distorted OLi3O tetrahedra that share corners with three equivalent LiO6 octahedra, corners with thirteen equivalent OLi3O tetrahedra, and an edgeedge with one OLi3O tetrahedra. The corner-sharing octahedra tilt angles range from 65–66°. The O–O bond length is 1.34 Å.},

  doi          = {10.17188/1350432},

  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/10.17188/1350432

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