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Title: Materials Data on Li5(NiN)3 by Materials Project

Abstract

Li5(NiN)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Li–N bond lengths are 2.08 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to three equivalent N3- atoms. There are two shorter (2.13 Å) and one longer (2.42 Å) Li–N bond lengths. Ni+1.33+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ni–N bond lengths are 1.74 Å. N3- is bonded to five Li1+ and two equivalent Ni+1.33+ atoms to form a mixture of distorted edge and corner-sharing NLi5Ni2 pentagonal bipyramids.

Authors:
Publication Date:
Other Number(s):
mp-7080
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; Li5(NiN)3; Li-N-Ni
OSTI Identifier:
1286538
DOI:
https://doi.org/10.17188/1286538

Citation Formats

The Materials Project. Materials Data on Li5(NiN)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1286538.
The Materials Project. Materials Data on Li5(NiN)3 by Materials Project. United States. doi:https://doi.org/10.17188/1286538
The Materials Project. 2020. "Materials Data on Li5(NiN)3 by Materials Project". United States. doi:https://doi.org/10.17188/1286538. https://www.osti.gov/servlets/purl/1286538. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1286538,
title = {Materials Data on Li5(NiN)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li5(NiN)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Li–N bond lengths are 2.08 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to three equivalent N3- atoms. There are two shorter (2.13 Å) and one longer (2.42 Å) Li–N bond lengths. Ni+1.33+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ni–N bond lengths are 1.74 Å. N3- is bonded to five Li1+ and two equivalent Ni+1.33+ atoms to form a mixture of distorted edge and corner-sharing NLi5Ni2 pentagonal bipyramids.},
doi = {10.17188/1286538},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}