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Title: Materials Data on LiHO by Materials Project

Abstract

LiOH crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one LiOH sheet oriented in the (0, 0, 1) direction. Li1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There is two shorter (1.98 Å) and two longer (1.99 Å) Li–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 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Li1+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Li1+ and one H1+ atom.

Publication Date:
Other Number(s):
mp-625998
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; LiHO; H-Li-O
OSTI Identifier:
1278530
DOI:
10.17188/1278530

Citation Formats

The Materials Project. Materials Data on LiHO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278530.
The Materials Project. Materials Data on LiHO by Materials Project. United States. doi:10.17188/1278530.
The Materials Project. 2020. "Materials Data on LiHO by Materials Project". United States. doi:10.17188/1278530. https://www.osti.gov/servlets/purl/1278530. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1278530,
title = {Materials Data on LiHO by Materials Project},
author = {The Materials Project},
abstractNote = {LiOH crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one LiOH sheet oriented in the (0, 0, 1) direction. Li1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There is two shorter (1.98 Å) and two longer (1.99 Å) Li–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 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Li1+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Li1+ and one H1+ atom.},
doi = {10.17188/1278530},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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