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Title: Materials Data on LiLaO2 by Materials Project

Abstract

LiLaO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.90–1.98 Å. La3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing LaO6 octahedra. The corner-sharing octahedra tilt angles range from 20–52°. There are a spread of La–O bond distances ranging from 2.35–2.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and three equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLiLa3 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Li1+ and three equivalent La3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-756544
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; LiLaO2; La-Li-O
OSTI Identifier:
1290550
DOI:
https://doi.org/10.17188/1290550

Citation Formats

The Materials Project. Materials Data on LiLaO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290550.
The Materials Project. Materials Data on LiLaO2 by Materials Project. United States. doi:https://doi.org/10.17188/1290550
The Materials Project. 2020. "Materials Data on LiLaO2 by Materials Project". United States. doi:https://doi.org/10.17188/1290550. https://www.osti.gov/servlets/purl/1290550. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1290550,
title = {Materials Data on LiLaO2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiLaO2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.90–1.98 Å. La3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing LaO6 octahedra. The corner-sharing octahedra tilt angles range from 20–52°. There are a spread of La–O bond distances ranging from 2.35–2.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and three equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OLiLa3 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Li1+ and three equivalent La3+ atoms.},
doi = {10.17188/1290550},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}