Materials Data on SrCrN2 by Materials Project

doi:10.17188/1653747

Title: Materials Data on SrCrN2 by Materials Project

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Abstract

SrCrN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Sr–N bond distances ranging from 2.58–2.79 Å. Cr4+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.79–1.86 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two equivalent Cr4+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to one Sr2+ and two equivalent Cr4+ atoms.

Authors:: The Materials Project

Publication Date:: 2017-06-13

Other Number(s):: mp-1029838

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; SrCrN2; Cr-N-Sr

OSTI Identifier:: 1653747

DOI:: https://doi.org/10.17188/1653747

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                    The Materials Project. Materials Data on SrCrN2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1653747.

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                    The Materials Project. Materials Data on SrCrN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1653747

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                    The Materials Project. 2017.  
"Materials Data on SrCrN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1653747.  https://www.osti.gov/servlets/purl/1653747. Pub date:Tue Jun 13 00:00:00 EDT 2017

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@article{osti_1653747,

  title        = {Materials Data on SrCrN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SrCrN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Sr–N bond distances ranging from 2.58–2.79 Å. Cr4+ is bonded to four N3- atoms to form a mixture of edge and corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.79–1.86 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent Sr2+ and two equivalent Cr4+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to one Sr2+ and two equivalent Cr4+ atoms.},

  doi          = {10.17188/1653747},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1653747

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