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Title: Materials Data on Li2HN by Materials Project

Abstract

Li2NH crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to three equivalent N3- and one H1+ atom to form corner-sharing LiHN3 trigonal pyramids. All Li–N bond lengths are 2.09 Å. The Li–H bond length is 1.76 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one N3- and three equivalent H1+ atoms. The Li–N bond length is 2.07 Å. All Li–H bond lengths are 2.08 Å. N3- is bonded in a distorted single-bond geometry to four Li1+ and one H1+ atom. The N–H bond length is 1.03 Å. H1+ is bonded in a distorted single-bond geometry to four Li1+ and one N3- atom.

Publication Date:
Other Number(s):
mp-35695
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; Li2HN; H-Li-N
OSTI Identifier:
1207032
DOI:
10.17188/1207032

Citation Formats

The Materials Project. Materials Data on Li2HN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207032.
The Materials Project. Materials Data on Li2HN by Materials Project. United States. doi:10.17188/1207032.
The Materials Project. 2020. "Materials Data on Li2HN by Materials Project". United States. doi:10.17188/1207032. https://www.osti.gov/servlets/purl/1207032. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1207032,
title = {Materials Data on Li2HN by Materials Project},
author = {The Materials Project},
abstractNote = {Li2NH crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to three equivalent N3- and one H1+ atom to form corner-sharing LiHN3 trigonal pyramids. All Li–N bond lengths are 2.09 Å. The Li–H bond length is 1.76 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to one N3- and three equivalent H1+ atoms. The Li–N bond length is 2.07 Å. All Li–H bond lengths are 2.08 Å. N3- is bonded in a distorted single-bond geometry to four Li1+ and one H1+ atom. The N–H bond length is 1.03 Å. H1+ is bonded in a distorted single-bond geometry to four Li1+ and one N3- atom.},
doi = {10.17188/1207032},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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