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Title: Materials Data on Li3N2 by Materials Project

Abstract

NLi3N crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent N+1.50- atoms to form a mixture of edge and corner-sharing LiN4 tetrahedra. All Li–N bond lengths are 2.04 Å. In the second Li1+ site, Li1+ is bonded to four equivalent N+1.50- atoms to form a mixture of edge and corner-sharing LiN4 tetrahedra. All Li–N bond lengths are 2.04 Å. In the third Li1+ site, Li1+ is bonded to four equivalent N+1.50- atoms to form a mixture of edge and corner-sharing LiN4 tetrahedra. All Li–N bond lengths are 2.20 Å. N+1.50- is bonded in a distorted hexagonal planar geometry to six Li1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1222421
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; Li3N2; Li-N
OSTI Identifier:
1742014
DOI:
https://doi.org/10.17188/1742014

Citation Formats

The Materials Project. Materials Data on Li3N2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1742014.
The Materials Project. Materials Data on Li3N2 by Materials Project. United States. doi:https://doi.org/10.17188/1742014
The Materials Project. 2020. "Materials Data on Li3N2 by Materials Project". United States. doi:https://doi.org/10.17188/1742014. https://www.osti.gov/servlets/purl/1742014. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1742014,
title = {Materials Data on Li3N2 by Materials Project},
author = {The Materials Project},
abstractNote = {NLi3N crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent N+1.50- atoms to form a mixture of edge and corner-sharing LiN4 tetrahedra. All Li–N bond lengths are 2.04 Å. In the second Li1+ site, Li1+ is bonded to four equivalent N+1.50- atoms to form a mixture of edge and corner-sharing LiN4 tetrahedra. All Li–N bond lengths are 2.04 Å. In the third Li1+ site, Li1+ is bonded to four equivalent N+1.50- atoms to form a mixture of edge and corner-sharing LiN4 tetrahedra. All Li–N bond lengths are 2.20 Å. N+1.50- is bonded in a distorted hexagonal planar geometry to six Li1+ atoms.},
doi = {10.17188/1742014},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}