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Title: Materials Data on Li2O by Materials Project

Abstract

Li2O is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 3-coordinate geometry to five equivalent O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.44 Å. In the second Li1+ site, Li1+ is bonded to four equivalent O2- atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There is three shorter (1.98 Å) and one longer (2.00 Å) Li–O bond length. O2- is bonded in a 9-coordinate geometry to nine Li1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-755894
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; Li2O; Li-O
OSTI Identifier:
1290260
DOI:
10.17188/1290260

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290260.
Persson, Kristin, & Project, Materials. Materials Data on Li2O by Materials Project. United States. doi:10.17188/1290260.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li2O by Materials Project". United States. doi:10.17188/1290260. https://www.osti.gov/servlets/purl/1290260. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1290260,
title = {Materials Data on Li2O by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li2O is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 3-coordinate geometry to five equivalent O2- atoms. There are a spread of Li–O bond distances ranging from 1.98–2.44 Å. In the second Li1+ site, Li1+ is bonded to four equivalent O2- atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There is three shorter (1.98 Å) and one longer (2.00 Å) Li–O bond length. O2- is bonded in a 9-coordinate geometry to nine Li1+ atoms.},
doi = {10.17188/1290260},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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