Materials Data on LiCuO2 by Materials Project

doi:10.17188/1317105

Title: Materials Data on LiCuO2 by Materials Project

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Abstract

LiCuO2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with four equivalent CuO6 octahedra, corners with eight equivalent LiO6 octahedra, edges with two equivalent LiO6 octahedra, edges with four equivalent CuO6 octahedra, and faces with two equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 46–51°. There are two shorter (2.15 Å) and four longer (2.22 Å) Li–O bond lengths. Cu3+ is bonded to six equivalent O2- atoms to form distorted CuO6 octahedra that share corners with four equivalent LiO6 octahedra, corners with eight equivalent CuO6 octahedra, edges with two equivalent CuO6 octahedra, edges with four equivalent LiO6 octahedra, and faces with two equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–49°. There are four shorter (1.87 Å) and two longer (2.46 Å) Cu–O bond lengths. O2- is bonded in a 6-coordinate geometry to three equivalent Li1+ and three equivalent Cu3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-996987

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; LiCuO2; Cu-Li-O

OSTI Identifier:: 1317105

DOI:: https://doi.org/10.17188/1317105

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                    The Materials Project. Materials Data on LiCuO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317105.

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                    The Materials Project. Materials Data on LiCuO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317105

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                    The Materials Project. 2020.  
"Materials Data on LiCuO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317105.  https://www.osti.gov/servlets/purl/1317105. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1317105,

  title        = {Materials Data on LiCuO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiCuO2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with four equivalent CuO6 octahedra, corners with eight equivalent LiO6 octahedra, edges with two equivalent LiO6 octahedra, edges with four equivalent CuO6 octahedra, and faces with two equivalent CuO6 octahedra. The corner-sharing octahedra tilt angles range from 46–51°. There are two shorter (2.15 Å) and four longer (2.22 Å) Li–O bond lengths. Cu3+ is bonded to six equivalent O2- atoms to form distorted CuO6 octahedra that share corners with four equivalent LiO6 octahedra, corners with eight equivalent CuO6 octahedra, edges with two equivalent CuO6 octahedra, edges with four equivalent LiO6 octahedra, and faces with two equivalent LiO6 octahedra. The corner-sharing octahedra tilt angles range from 46–49°. There are four shorter (1.87 Å) and two longer (2.46 Å) Cu–O bond lengths. O2- is bonded in a 6-coordinate geometry to three equivalent Li1+ and three equivalent Cu3+ atoms.},

  doi          = {10.17188/1317105},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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