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

Title: Materials Data on NaLi2N by Materials Project

Abstract

NaLi2N is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent Li1+ and six equivalent N3- atoms. All Na–Li bond lengths are 2.35 Å. All Na–N bond lengths are 2.71 Å. Li1+ is bonded to four equivalent Na1+ and four equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing LiNa4N4 tetrahedra. All Li–N bond lengths are 2.35 Å. N3- is bonded in a distorted body-centered cubic geometry to six equivalent Na1+ and eight equivalent Li1+ atoms.

Publication Date:
Other Number(s):
mp-10525
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; NaLi2N; Li-N-Na
OSTI Identifier:
1187179
DOI:
10.17188/1187179

Citation Formats

The Materials Project. Materials Data on NaLi2N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187179.
The Materials Project. Materials Data on NaLi2N by Materials Project. United States. doi:10.17188/1187179.
The Materials Project. 2020. "Materials Data on NaLi2N by Materials Project". United States. doi:10.17188/1187179. https://www.osti.gov/servlets/purl/1187179. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187179,
title = {Materials Data on NaLi2N by Materials Project},
author = {The Materials Project},
abstractNote = {NaLi2N is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent Li1+ and six equivalent N3- atoms. All Na–Li bond lengths are 2.35 Å. All Na–N bond lengths are 2.71 Å. Li1+ is bonded to four equivalent Na1+ and four equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing LiNa4N4 tetrahedra. All Li–N bond lengths are 2.35 Å. N3- is bonded in a distorted body-centered cubic geometry to six equivalent Na1+ and eight equivalent Li1+ atoms.},
doi = {10.17188/1187179},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: