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Title: Materials Data on LiH4(NO2)3 by Materials Project

Abstract

(LiH4(NO3)2)2N2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ammonia molecules and four LiH4(NO3)2 clusters. In each LiH4(NO3)2 cluster, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (1.97 Å) and two longer (2.06 Å) Li–O bond lengths. N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.26 Å) N–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one N+2.33+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1211054
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; LiH4(NO2)3; H-Li-N-O
OSTI Identifier:
1692884
DOI:
https://doi.org/10.17188/1692884

Citation Formats

The Materials Project. Materials Data on LiH4(NO2)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1692884.
The Materials Project. Materials Data on LiH4(NO2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1692884
The Materials Project. 2020. "Materials Data on LiH4(NO2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1692884. https://www.osti.gov/servlets/purl/1692884. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1692884,
title = {Materials Data on LiH4(NO2)3 by Materials Project},
author = {The Materials Project},
abstractNote = {(LiH4(NO3)2)2N2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ammonia molecules and four LiH4(NO3)2 clusters. In each LiH4(NO3)2 cluster, Li1+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (1.97 Å) and two longer (2.06 Å) Li–O bond lengths. N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.26 Å) N–O bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one N+2.33+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two H1+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one N+2.33+ atom.},
doi = {10.17188/1692884},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}