Materials Data on NaCrN2 by Materials Project

doi:10.17188/1687964

Title: Materials Data on NaCrN2 by Materials Project

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Abstract

NaCrN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Na1+ is bonded to four equivalent N3- atoms to form distorted NaN4 trigonal pyramids that share corners with eight equivalent CrN4 tetrahedra and corners with four equivalent NaN4 trigonal pyramids. All Na–N bond lengths are 2.50 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 NaN4 trigonal pyramids. All Cr–N bond lengths are 1.78 Å. N3- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Cr5+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1029407

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; NaCrN2; Cr-N-Na

OSTI Identifier:: 1687964

DOI:: https://doi.org/10.17188/1687964

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                    The Materials Project. Materials Data on NaCrN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687964.

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                    The Materials Project. Materials Data on NaCrN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687964

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                    The Materials Project. 2020.  
"Materials Data on NaCrN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687964.  https://www.osti.gov/servlets/purl/1687964. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1687964,

  title        = {Materials Data on NaCrN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaCrN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Na1+ is bonded to four equivalent N3- atoms to form distorted NaN4 trigonal pyramids that share corners with eight equivalent CrN4 tetrahedra and corners with four equivalent NaN4 trigonal pyramids. All Na–N bond lengths are 2.50 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 NaN4 trigonal pyramids. All Cr–N bond lengths are 1.78 Å. N3- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Cr5+ atoms.},

  doi          = {10.17188/1687964},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1687964

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