Materials Data on Li2CeO3 by Materials Project

doi:10.17188/1289462

Title: Materials Data on Li2CeO3 by Materials Project

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Abstract

Li2CeO3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li1+ is bonded to five O2- atoms to form LiO5 trigonal bipyramids that share corners with two equivalent CeO6 octahedra, corners with six equivalent LiO5 trigonal bipyramids, edges with four equivalent CeO6 octahedra, and edges with three equivalent LiO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. There are a spread of Li–O bond distances ranging from 1.93–2.33 Å. Ce4+ is bonded to six O2- atoms to form CeO6 octahedra that share corners with two equivalent CeO6 octahedra, corners with four equivalent LiO5 trigonal bipyramids, edges with two equivalent CeO6 octahedra, and edges with eight equivalent LiO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 0°. All Ce–O bond lengths are 2.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Li1+ and two equivalent Ce4+ atoms to form OLi4Ce2 octahedra that share corners with two equivalent OLi4Ce2 octahedra, corners with four equivalent OLi3Ce2 trigonal bipyramids, edges with two equivalent OLi4Ce2 octahedra, and edges with eight equivalent OLi3Ce2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to three equivalentmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-754534

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; Li2CeO3; Ce-Li-O

OSTI Identifier:: 1289462

DOI:: https://doi.org/10.17188/1289462

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                    The Materials Project. Materials Data on Li2CeO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289462.

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                    The Materials Project. Materials Data on Li2CeO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289462

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                    The Materials Project. 2020.  
"Materials Data on Li2CeO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289462.  https://www.osti.gov/servlets/purl/1289462. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1289462,

  title        = {Materials Data on Li2CeO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2CeO3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Li1+ is bonded to five O2- atoms to form LiO5 trigonal bipyramids that share corners with two equivalent CeO6 octahedra, corners with six equivalent LiO5 trigonal bipyramids, edges with four equivalent CeO6 octahedra, and edges with three equivalent LiO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. There are a spread of Li–O bond distances ranging from 1.93–2.33 Å. Ce4+ is bonded to six O2- atoms to form CeO6 octahedra that share corners with two equivalent CeO6 octahedra, corners with four equivalent LiO5 trigonal bipyramids, edges with two equivalent CeO6 octahedra, and edges with eight equivalent LiO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 0°. All Ce–O bond lengths are 2.25 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Li1+ and two equivalent Ce4+ atoms to form OLi4Ce2 octahedra that share corners with two equivalent OLi4Ce2 octahedra, corners with four equivalent OLi3Ce2 trigonal bipyramids, edges with two equivalent OLi4Ce2 octahedra, and edges with eight equivalent OLi3Ce2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to three equivalent Li1+ and two equivalent Ce4+ atoms to form OLi3Ce2 trigonal bipyramids that share corners with two equivalent OLi4Ce2 octahedra, corners with six equivalent OLi3Ce2 trigonal bipyramids, edges with four equivalent OLi4Ce2 octahedra, and edges with three equivalent OLi3Ce2 trigonal bipyramids. The corner-sharing octahedral tilt angles are 50°.},

  doi          = {10.17188/1289462},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1289462

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