Materials Data on Zr3N2 by Materials Project

doi:10.17188/1311338

Title: Materials Data on Zr3N2 by Materials Project

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Abstract

Zr3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Zr2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms. There are two shorter (2.28 Å) and two longer (2.32 Å) Zr–N bond lengths. N3- is bonded to six equivalent Zr2+ atoms to form a mixture of corner, edge, and face-sharing NZr6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-866083

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; Zr3N2; N-Zr

OSTI Identifier:: 1311338

DOI:: https://doi.org/10.17188/1311338

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                    The Materials Project. Materials Data on Zr3N2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1311338.

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                    The Materials Project. Materials Data on Zr3N2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1311338

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                    The Materials Project. 2020.  
"Materials Data on Zr3N2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1311338.  https://www.osti.gov/servlets/purl/1311338. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1311338,

  title        = {Materials Data on Zr3N2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr3N2 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Zr2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent N3- atoms. There are two shorter (2.28 Å) and two longer (2.32 Å) Zr–N bond lengths. N3- is bonded to six equivalent Zr2+ atoms to form a mixture of corner, edge, and face-sharing NZr6 octahedra. The corner-sharing octahedra tilt angles range from 48–52°.},

  doi          = {10.17188/1311338},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1311338

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