Materials Data on Li2CeN2 by Materials Project

doi:10.17188/1307946

Title: Materials Data on Li2CeN2 by Materials Project

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Abstract

Li2CeN2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form LiN4 tetrahedra that share corners with six equivalent CeN6 octahedra, corners with six equivalent LiN4 tetrahedra, edges with three equivalent CeN6 octahedra, and edges with three equivalent LiN4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–59°. There are one shorter (2.08 Å) and three longer (2.27 Å) Li–N bond lengths. Ce4+ is bonded to six equivalent N3- atoms to form CeN6 octahedra that share corners with twelve equivalent LiN4 tetrahedra, edges with six equivalent CeN6 octahedra, and edges with six equivalent LiN4 tetrahedra. All Ce–N bond lengths are 2.41 Å. N3- is bonded to four equivalent Li1+ and three equivalent Ce4+ atoms to form a mixture of distorted edge and corner-sharing NLi4Ce3 pentagonal bipyramids.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-8181

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; Li2CeN2; Ce-Li-N

OSTI Identifier:: 1307946

DOI:: https://doi.org/10.17188/1307946

Citation Formats


                    The Materials Project. Materials Data on Li2CeN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1307946.

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                    The Materials Project. Materials Data on Li2CeN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1307946

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                    The Materials Project. 2020.  
"Materials Data on Li2CeN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1307946.  https://www.osti.gov/servlets/purl/1307946. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1307946,

  title        = {Materials Data on Li2CeN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2CeN2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form LiN4 tetrahedra that share corners with six equivalent CeN6 octahedra, corners with six equivalent LiN4 tetrahedra, edges with three equivalent CeN6 octahedra, and edges with three equivalent LiN4 tetrahedra. The corner-sharing octahedra tilt angles range from 7–59°. There are one shorter (2.08 Å) and three longer (2.27 Å) Li–N bond lengths. Ce4+ is bonded to six equivalent N3- atoms to form CeN6 octahedra that share corners with twelve equivalent LiN4 tetrahedra, edges with six equivalent CeN6 octahedra, and edges with six equivalent LiN4 tetrahedra. All Ce–N bond lengths are 2.41 Å. N3- is bonded to four equivalent Li1+ and three equivalent Ce4+ atoms to form a mixture of distorted edge and corner-sharing NLi4Ce3 pentagonal bipyramids.},

  doi          = {10.17188/1307946},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1307946

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