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Title: Materials Data on LiH2NO3 by Materials Project

Abstract

LiNH2O3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two LiNH2O3 sheets oriented in the (0, 1, 0) direction. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.01–2.33 Å. N3+ is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 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 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one N3+ atom. In the second O2- site, O2- is bonded in a water-like geometry to one Li1+ and one N3+ atom. In the third O2- site, O2- is bonded to two equivalent Li1+ and two H1+ atoms to form distorted corner-sharing OLi2H2 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-722902
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; LiH2NO3; H-Li-N-O
OSTI Identifier:
1287527
DOI:
10.17188/1287527

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiH2NO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287527.
Persson, Kristin, & Project, Materials. Materials Data on LiH2NO3 by Materials Project. United States. doi:10.17188/1287527.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LiH2NO3 by Materials Project". United States. doi:10.17188/1287527. https://www.osti.gov/servlets/purl/1287527. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1287527,
title = {Materials Data on LiH2NO3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LiNH2O3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two LiNH2O3 sheets oriented in the (0, 1, 0) direction. Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 2.01–2.33 Å. N3+ is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.26 Å) and one longer (1.27 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 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one N3+ atom. In the second O2- site, O2- is bonded in a water-like geometry to one Li1+ and one N3+ atom. In the third O2- site, O2- is bonded to two equivalent Li1+ and two H1+ atoms to form distorted corner-sharing OLi2H2 tetrahedra.},
doi = {10.17188/1287527},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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