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Title: Materials Data on LiLaTiO4 by Materials Project

Abstract

LiLaTiO4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. All Li–O bond lengths are 2.03 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.72 Å. Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.79 Å) and four longer (1.95 Å) Ti–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five equivalent La3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent La3+ and two equivalent Ti4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-6521
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; LiLaTiO4; La-Li-O-Ti
OSTI Identifier:
1281125
DOI:
10.17188/1281125

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LiLaTiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281125.
Persson, Kristin, & Project, Materials. Materials Data on LiLaTiO4 by Materials Project. United States. doi:10.17188/1281125.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LiLaTiO4 by Materials Project". United States. doi:10.17188/1281125. https://www.osti.gov/servlets/purl/1281125. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1281125,
title = {Materials Data on LiLaTiO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LiLaTiO4 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form a mixture of distorted edge and corner-sharing LiO4 trigonal pyramids. All Li–O bond lengths are 2.03 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.72 Å. Ti4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.79 Å) and four longer (1.95 Å) Ti–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to five equivalent La3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent La3+ and two equivalent Ti4+ atoms.},
doi = {10.17188/1281125},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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