Materials Data on CrN2 by Materials Project

doi:10.17188/1337386

Title: Materials Data on CrN2 by Materials Project

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Abstract

CrN2 is Low Tridymite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.72–1.74 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1016059

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; CrN2; Cr-N

OSTI Identifier:: 1337386

DOI:: https://doi.org/10.17188/1337386

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                    The Materials Project. Materials Data on CrN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1337386.

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                    The Materials Project. Materials Data on CrN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1337386

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                    The Materials Project. 2020.  
"Materials Data on CrN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1337386.  https://www.osti.gov/servlets/purl/1337386. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1337386,

  title        = {Materials Data on CrN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrN2 is Low Tridymite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.72–1.74 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a linear geometry to two equivalent Cr6+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms. In the fourth N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+ atoms.},

  doi          = {10.17188/1337386},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1337386

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