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Title: Materials Data on ZnNi3N by Materials Project

Abstract

ZnNNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a linear geometry to four equivalent Zn and two equivalent N atoms. All Ni–Zn bond lengths are 2.66 Å. Both Ni–N bond lengths are 1.88 Å. Zn is bonded to twelve equivalent Ni atoms to form ZnNi12 cuboctahedra that share corners with twelve equivalent ZnNi12 cuboctahedra, faces with six equivalent ZnNi12 cuboctahedra, and faces with eight equivalent NNi6 octahedra. N is bonded to six equivalent Ni atoms to form NNi6 octahedra that share corners with six equivalent NNi6 octahedra and faces with eight equivalent ZnNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1069270
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; ZnNi3N; N-Ni-Zn
OSTI Identifier:
1740460
DOI:
https://doi.org/10.17188/1740460

Citation Formats

The Materials Project. Materials Data on ZnNi3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740460.
The Materials Project. Materials Data on ZnNi3N by Materials Project. United States. doi:https://doi.org/10.17188/1740460
The Materials Project. 2020. "Materials Data on ZnNi3N by Materials Project". United States. doi:https://doi.org/10.17188/1740460. https://www.osti.gov/servlets/purl/1740460. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1740460,
title = {Materials Data on ZnNi3N by Materials Project},
author = {The Materials Project},
abstractNote = {ZnNNi3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni is bonded in a linear geometry to four equivalent Zn and two equivalent N atoms. All Ni–Zn bond lengths are 2.66 Å. Both Ni–N bond lengths are 1.88 Å. Zn is bonded to twelve equivalent Ni atoms to form ZnNi12 cuboctahedra that share corners with twelve equivalent ZnNi12 cuboctahedra, faces with six equivalent ZnNi12 cuboctahedra, and faces with eight equivalent NNi6 octahedra. N is bonded to six equivalent Ni atoms to form NNi6 octahedra that share corners with six equivalent NNi6 octahedra and faces with eight equivalent ZnNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1740460},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}