Materials Data on Li(CuN)3 by Materials Project

doi:10.17188/1743536

Title: Materials Data on Li(CuN)3 by Materials Project

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Abstract

Li(CuN)3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent N3- atoms to form corner-sharing LiN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–N bond lengths are 2.02 Å. Cu+2.67+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Cu–N bond lengths are 2.02 Å. N3- is bonded to two equivalent Li1+ and four equivalent Cu+2.67+ atoms to form a mixture of edge and corner-sharing NLi2Cu4 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1147674

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; Li(CuN)3; Cu-Li-N

OSTI Identifier:: 1743536

DOI:: https://doi.org/10.17188/1743536

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                    The Materials Project. Materials Data on Li(CuN)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743536.

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                    The Materials Project. Materials Data on Li(CuN)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1743536

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                    The Materials Project. 2020.  
"Materials Data on Li(CuN)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1743536.  https://www.osti.gov/servlets/purl/1743536. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1743536,

  title        = {Materials Data on Li(CuN)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li(CuN)3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent N3- atoms to form corner-sharing LiN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–N bond lengths are 2.02 Å. Cu+2.67+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Cu–N bond lengths are 2.02 Å. N3- is bonded to two equivalent Li1+ and four equivalent Cu+2.67+ atoms to form a mixture of edge and corner-sharing NLi2Cu4 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1743536},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1743536

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