Materials Data on ZnSnN2 by Materials Project

doi:10.17188/1750980

Title: Materials Data on ZnSnN2 by Materials Project

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Abstract

ZnSnN2 is Chalcopyrite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Zn2+ is bonded to four N3- atoms to form ZnN4 tetrahedra that share corners with four equivalent ZnN4 tetrahedra and corners with eight equivalent SnN4 tetrahedra. There are a spread of Zn–N bond distances ranging from 2.07–2.09 Å. Sn4+ is bonded to four N3- atoms to form SnN4 tetrahedra that share corners with four equivalent SnN4 tetrahedra and corners with eight equivalent ZnN4 tetrahedra. There are a spread of Sn–N bond distances ranging from 2.08–2.10 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Zn2+ and two equivalent Sn4+ atoms to form corner-sharing NZn2Sn2 tetrahedra. In the second N3- site, N3- is bonded to two equivalent Zn2+ and two equivalent Sn4+ atoms to form corner-sharing NZn2Sn2 tetrahedra.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1029469

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; ZnSnN2; N-Sn-Zn

OSTI Identifier:: 1750980

DOI:: https://doi.org/10.17188/1750980

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                    The Materials Project. Materials Data on ZnSnN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1750980.

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                    The Materials Project. Materials Data on ZnSnN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1750980

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                    The Materials Project. 2020.  
"Materials Data on ZnSnN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1750980.  https://www.osti.gov/servlets/purl/1750980. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1750980,

  title        = {Materials Data on ZnSnN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnSnN2 is Chalcopyrite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Zn2+ is bonded to four N3- atoms to form ZnN4 tetrahedra that share corners with four equivalent ZnN4 tetrahedra and corners with eight equivalent SnN4 tetrahedra. There are a spread of Zn–N bond distances ranging from 2.07–2.09 Å. Sn4+ is bonded to four N3- atoms to form SnN4 tetrahedra that share corners with four equivalent SnN4 tetrahedra and corners with eight equivalent ZnN4 tetrahedra. There are a spread of Sn–N bond distances ranging from 2.08–2.10 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Zn2+ and two equivalent Sn4+ atoms to form corner-sharing NZn2Sn2 tetrahedra. In the second N3- site, N3- is bonded to two equivalent Zn2+ and two equivalent Sn4+ atoms to form corner-sharing NZn2Sn2 tetrahedra.},

  doi          = {10.17188/1750980},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1750980

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