Materials Data on LiCrN2 by Materials Project

doi:10.17188/1753682

Title: Materials Data on LiCrN2 by Materials Project

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Abstract

LiCrN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form LiN4 tetrahedra that share corners with four equivalent LiN4 tetrahedra and corners with eight equivalent CrN4 tetrahedra. All Li–N bond lengths are 2.13 Å. Cr5+ is bonded to four equivalent N3- atoms to form CrN4 tetrahedra that share corners with four equivalent CrN4 tetrahedra and corners with eight equivalent LiN4 tetrahedra. All Cr–N bond lengths are 1.79 Å. N3- is bonded to two equivalent Li1+ and two equivalent Cr5+ atoms to form corner-sharing NLi2Cr2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1029395

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; LiCrN2; Cr-Li-N

OSTI Identifier:: 1753682

DOI:: https://doi.org/10.17188/1753682

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                    The Materials Project. Materials Data on LiCrN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753682.

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                    The Materials Project. Materials Data on LiCrN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753682

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                    The Materials Project. 2020.  
"Materials Data on LiCrN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753682.  https://www.osti.gov/servlets/purl/1753682. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1753682,

  title        = {Materials Data on LiCrN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiCrN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Li1+ is bonded to four equivalent N3- atoms to form LiN4 tetrahedra that share corners with four equivalent LiN4 tetrahedra and corners with eight equivalent CrN4 tetrahedra. All Li–N bond lengths are 2.13 Å. Cr5+ is bonded to four equivalent N3- atoms to form CrN4 tetrahedra that share corners with four equivalent CrN4 tetrahedra and corners with eight equivalent LiN4 tetrahedra. All Cr–N bond lengths are 1.79 Å. N3- is bonded to two equivalent Li1+ and two equivalent Cr5+ atoms to form corner-sharing NLi2Cr2 tetrahedra.},

  doi          = {10.17188/1753682},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1753682

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