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Title: Materials Data on Zn3N by Materials Project

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.

Publication Date:
Other Number(s):
mp-981366
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Zn3N; N-Zn
OSTI Identifier:
1316333
DOI:
https://doi.org/10.17188/1316333

Citation Formats

The Materials Project. Materials Data on Zn3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316333.
The Materials Project. Materials Data on Zn3N by Materials Project. United States. doi:https://doi.org/10.17188/1316333
The Materials Project. 2020. "Materials Data on Zn3N by Materials Project". United States. doi:https://doi.org/10.17188/1316333. https://www.osti.gov/servlets/purl/1316333. Pub date:Mon Jul 20 00:00:00 EDT 2020
@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},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}