Materials Data on Cr3N4 by Materials Project

doi:10.17188/1337347

Title: Materials Data on Cr3N4 by Materials Project

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Abstract

Cr3N4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Cr4+ is bonded to four equivalent N3- atoms to form corner-sharing CrN4 tetrahedra. All Cr–N bond lengths are 1.84 Å. N3- is bonded in a trigonal planar geometry to three equivalent Cr4+ atoms.

Publication Date:: 2020-07-20

Other Number(s):: mp-1014347

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cr-N; Cr3N4; crystal structure

OSTI Identifier:: 1337347

DOI:: https://doi.org/10.17188/1337347

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                    Materials Data on Cr3N4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1337347.

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                    Materials Data on Cr3N4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1337347

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                    2020.  
"Materials Data on Cr3N4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1337347.  https://www.osti.gov/servlets/purl/1337347. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1337347,

  title        = {Materials Data on Cr3N4 by Materials Project},

  
  abstractNote = {Cr3N4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Cr4+ is bonded to four equivalent N3- atoms to form corner-sharing CrN4 tetrahedra. All Cr–N bond lengths are 1.84 Å. N3- is bonded in a trigonal planar geometry to three equivalent Cr4+ atoms.},

  doi          = {10.17188/1337347},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1337347

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Materials Data on Cr3N4 by Materials Project

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Materials Data on Cr3N4 by Materials Project

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Cr3N4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.82–1.86 Å. In the second Cr4+ site, Cr4+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.82–1.86 Å. In the third Cr4+ site, Cr4+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bondmore »« less

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