Materials Data on Li3ScN2 by Materials Project

doi:10.17188/1266526

Title: Materials Data on Li3ScN2 by Materials Project

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Abstract

Li3ScN2 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.09–2.41 Å. Sc3+ is bonded to four N3- atoms to form corner-sharing ScN4 tetrahedra. There are one shorter (2.11 Å) and three longer (2.12 Å) Sc–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a hexagonal bipyramidal geometry to six equivalent Li1+ and two equivalent Sc3+ atoms. In the second N3- site, N3- is bonded in a distorted body-centered cubic geometry to six equivalent Li1+ and two equivalent Sc3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-542435

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; Li3ScN2; Li-N-Sc

OSTI Identifier:: 1266526

DOI:: https://doi.org/10.17188/1266526

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                    The Materials Project. Materials Data on Li3ScN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266526.

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                    The Materials Project. Materials Data on Li3ScN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266526

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                    The Materials Project. 2020.  
"Materials Data on Li3ScN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266526.  https://www.osti.gov/servlets/purl/1266526. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1266526,

  title        = {Materials Data on Li3ScN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li3ScN2 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.09–2.41 Å. Sc3+ is bonded to four N3- atoms to form corner-sharing ScN4 tetrahedra. There are one shorter (2.11 Å) and three longer (2.12 Å) Sc–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a hexagonal bipyramidal geometry to six equivalent Li1+ and two equivalent Sc3+ atoms. In the second N3- site, N3- is bonded in a distorted body-centered cubic geometry to six equivalent Li1+ and two equivalent Sc3+ atoms.},

  doi          = {10.17188/1266526},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1266526

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