Materials Data on NaLi2N by Materials Project

doi:10.17188/1187179

Title: Materials Data on NaLi2N by Materials Project

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Abstract

NaLi2N is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent Li1+ and six equivalent N3- atoms. All Na–Li bond lengths are 2.35 Å. All Na–N bond lengths are 2.71 Å. Li1+ is bonded to four equivalent Na1+ and four equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing LiNa4N4 tetrahedra. All Li–N bond lengths are 2.35 Å. N3- is bonded in a distorted body-centered cubic geometry to six equivalent Na1+ and eight equivalent Li1+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-10525

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; NaLi2N; Li-N-Na

OSTI Identifier:: 1187179

DOI:: https://doi.org/10.17188/1187179

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                    The Materials Project. Materials Data on NaLi2N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187179.

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                    The Materials Project. Materials Data on NaLi2N by Materials Project.  United States.  doi:https://doi.org/10.17188/1187179

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                    The Materials Project. 2020.  
"Materials Data on NaLi2N by Materials Project".  United States.  doi:https://doi.org/10.17188/1187179.  https://www.osti.gov/servlets/purl/1187179. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1187179,

  title        = {Materials Data on NaLi2N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaLi2N is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent Li1+ and six equivalent N3- atoms. All Na–Li bond lengths are 2.35 Å. All Na–N bond lengths are 2.71 Å. Li1+ is bonded to four equivalent Na1+ and four equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing LiNa4N4 tetrahedra. All Li–N bond lengths are 2.35 Å. N3- is bonded in a distorted body-centered cubic geometry to six equivalent Na1+ and eight equivalent Li1+ atoms.},

  doi          = {10.17188/1187179},

  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/10.17188/1187179

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