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Title: Materials Data on NaLi3(H2N)4 by Materials Project

Abstract

Li3Na(NH2)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent H1+ atoms. All Na–N bond lengths are 2.53 Å. All Na–H bond lengths are 2.55 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Li–N bond lengths are 2.07 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to four equivalent N3- and two equivalent H1+ atoms. There are two shorter (2.10 Å) and two longer (2.22 Å) Li–N bond lengths. Both Li–H bond lengths are 2.24 Å. N3- is bonded in a distorted water-like geometry to one Na1+, three Li1+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Li1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one N3- atom.

Authors:
Publication Date:
Other Number(s):
mp-505381
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; NaLi3(H2N)4; H-Li-N-Na
OSTI Identifier:
1262515
DOI:
https://doi.org/10.17188/1262515

Citation Formats

The Materials Project. Materials Data on NaLi3(H2N)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262515.
The Materials Project. Materials Data on NaLi3(H2N)4 by Materials Project. United States. doi:https://doi.org/10.17188/1262515
The Materials Project. 2020. "Materials Data on NaLi3(H2N)4 by Materials Project". United States. doi:https://doi.org/10.17188/1262515. https://www.osti.gov/servlets/purl/1262515. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1262515,
title = {Materials Data on NaLi3(H2N)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li3Na(NH2)4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to four equivalent N3- and four equivalent H1+ atoms. All Na–N bond lengths are 2.53 Å. All Na–H bond lengths are 2.55 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Li–N bond lengths are 2.07 Å. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to four equivalent N3- and two equivalent H1+ atoms. There are two shorter (2.10 Å) and two longer (2.22 Å) Li–N bond lengths. Both Li–H bond lengths are 2.24 Å. N3- is bonded in a distorted water-like geometry to one Na1+, three Li1+, and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Li1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Na1+ and one N3- atom.},
doi = {10.17188/1262515},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}