Materials Data on ZnSiN2 by Materials Project

doi:10.17188/1682831

Title: Materials Data on ZnSiN2 by Materials Project

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Abstract

ZnSiN2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Zn2+ is bonded in a 1-coordinate geometry to five N3- atoms. There are a spread of Zn–N bond distances ranging from 1.89–2.62 Å. Si4+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.72–1.78 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to four equivalent Zn2+ and two equivalent Si4+ atoms. In the second N3- site, N3- is bonded in a distorted T-shaped geometry to one Zn2+ and two equivalent Si4+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1029763

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; ZnSiN2; N-Si-Zn

OSTI Identifier:: 1682831

DOI:: https://doi.org/10.17188/1682831

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                    The Materials Project. Materials Data on ZnSiN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682831.

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                    The Materials Project. Materials Data on ZnSiN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1682831

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                    The Materials Project. 2020.  
"Materials Data on ZnSiN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1682831.  https://www.osti.gov/servlets/purl/1682831. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1682831,

  title        = {Materials Data on ZnSiN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ZnSiN2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Zn2+ is bonded in a 1-coordinate geometry to five N3- atoms. There are a spread of Zn–N bond distances ranging from 1.89–2.62 Å. Si4+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.72–1.78 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to four equivalent Zn2+ and two equivalent Si4+ atoms. In the second N3- site, N3- is bonded in a distorted T-shaped geometry to one Zn2+ and two equivalent Si4+ atoms.},

  doi          = {10.17188/1682831},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1682831

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