Materials Data on Li2NiO2 by Materials Project

doi:10.17188/1194196

Title: Materials Data on Li2NiO2 by Materials Project

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Abstract

Li2NiO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with six equivalent NiO6 octahedra, corners with six equivalent LiO4 tetrahedra, edges with three equivalent NiO6 octahedra, and edges with three equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 14–57°. There is three shorter (1.91 Å) and one longer (2.07 Å) Li–O bond length. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with twelve equivalent LiO4 tetrahedra, edges with six equivalent NiO6 octahedra, and edges with six equivalent LiO4 tetrahedra. All Ni–O bond lengths are 2.16 Å. O2- is bonded in a 7-coordinate geometry to four equivalent Li1+ and three equivalent Ni2+ atoms.

Authors:: The Materials Project

Publication Date:: Fri Apr 24 00:00:00 EDT 2020

Other Number(s):: mp-19308

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; Li2NiO2; Li-Ni-O

OSTI Identifier:: 1194196

DOI:: https://doi.org/10.17188/1194196

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                    The Materials Project. Materials Data on Li2NiO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1194196.

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                    The Materials Project. Materials Data on Li2NiO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1194196

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                    The Materials Project. 2020.  
"Materials Data on Li2NiO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1194196.  https://www.osti.gov/servlets/purl/1194196. Pub date:Fri Apr 24 00:00:00 EDT 2020

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@article{osti_1194196,

  title        = {Materials Data on Li2NiO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2NiO2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with six equivalent NiO6 octahedra, corners with six equivalent LiO4 tetrahedra, edges with three equivalent NiO6 octahedra, and edges with three equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 14–57°. There is three shorter (1.91 Å) and one longer (2.07 Å) Li–O bond length. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with twelve equivalent LiO4 tetrahedra, edges with six equivalent NiO6 octahedra, and edges with six equivalent LiO4 tetrahedra. All Ni–O bond lengths are 2.16 Å. O2- is bonded in a 7-coordinate geometry to four equivalent Li1+ and three equivalent Ni2+ atoms.},

  doi          = {10.17188/1194196},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Apr 24 00:00:00 EDT 2020},

  month        = {Fri Apr 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1194196

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