DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ni4N3 by Materials Project

Abstract

Ni4N3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Ni+2.25+ sites. In the first Ni+2.25+ site, Ni+2.25+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Ni–N bond lengths are 1.98 Å. In the second Ni+2.25+ site, Ni+2.25+ is bonded to six equivalent N3- atoms to form corner-sharing NiN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–N bond lengths are 1.98 Å. N3- is bonded to six Ni+2.25+ atoms to form a mixture of edge and corner-sharing NNi6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1094084
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; Ni4N3; N-Ni
OSTI Identifier:
1715122
DOI:
https://doi.org/10.17188/1715122

Citation Formats

The Materials Project. Materials Data on Ni4N3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1715122.
The Materials Project. Materials Data on Ni4N3 by Materials Project. United States. doi:https://doi.org/10.17188/1715122
The Materials Project. 2020. "Materials Data on Ni4N3 by Materials Project". United States. doi:https://doi.org/10.17188/1715122. https://www.osti.gov/servlets/purl/1715122. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1715122,
title = {Materials Data on Ni4N3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni4N3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Ni+2.25+ sites. In the first Ni+2.25+ site, Ni+2.25+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Ni–N bond lengths are 1.98 Å. In the second Ni+2.25+ site, Ni+2.25+ is bonded to six equivalent N3- atoms to form corner-sharing NiN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–N bond lengths are 1.98 Å. N3- is bonded to six Ni+2.25+ atoms to form a mixture of edge and corner-sharing NNi6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1715122},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}