Materials Data on Zn3N by Materials Project

doi:10.17188/1316333

Title: Materials Data on Zn3N by Materials Project

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Abstract

Zn3N crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded to eight Zn and four equivalent N atoms to form a mixture of distorted corner, edge, and face-sharing ZnZn8N4 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.71 Å) Zn–Zn bond lengths. All Zn–N bond lengths are 2.71 Å. In the second Zn site, Zn is bonded in a square co-planar geometry to eight equivalent Zn and four equivalent N atoms. All Zn–N bond lengths are 2.49 Å. N is bonded in a square co-planar geometry to twelve Zn atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1316333

Report Number(s):: mp-981366

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; Zn3N; N-Zn

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                    The Materials Project. Materials Data on Zn3N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316333.

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                    The Materials Project. Materials Data on Zn3N by Materials Project.  United States.  https://doi.org/10.17188/1316333

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                    The Materials Project. 2020.  
        "Materials Data on Zn3N by Materials Project".  United States.  https://doi.org/10.17188/1316333.  https://www.osti.gov/servlets/purl/1316333.

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@article{osti_1316333,

  title        = {Materials Data on Zn3N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zn3N crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Zn sites. In the first Zn site, Zn is bonded to eight Zn and four equivalent N atoms to form a mixture of distorted corner, edge, and face-sharing ZnZn8N4 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.71 Å) Zn–Zn bond lengths. All Zn–N bond lengths are 2.71 Å. In the second Zn site, Zn is bonded in a square co-planar geometry to eight equivalent Zn and four equivalent N atoms. All Zn–N bond lengths are 2.49 Å. N is bonded in a square co-planar geometry to twelve Zn atoms.},

  doi          = {10.17188/1316333},

  url          = {https://www.osti.gov/biblio/1316333},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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