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Title: Materials Data on LaAlO3 by Materials Project

Abstract

LaAlO3 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. La3+ is bonded to twelve O2- atoms to form distorted LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. There are a spread of La–O bond distances ranging from 2.50–2.92 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 9–13°. All Al–O bond lengths are 1.92 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent La3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent La3+ and two equivalent Al3+ atoms.

Publication Date:
Other Number(s):
mp-1080060
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; LaAlO3; Al-La-O
OSTI Identifier:
1652483
DOI:
https://doi.org/10.17188/1652483

Citation Formats

The Materials Project. Materials Data on LaAlO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1652483.
The Materials Project. Materials Data on LaAlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1652483
The Materials Project. 2020. "Materials Data on LaAlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1652483. https://www.osti.gov/servlets/purl/1652483. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1652483,
title = {Materials Data on LaAlO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaAlO3 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. La3+ is bonded to twelve O2- atoms to form distorted LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. There are a spread of La–O bond distances ranging from 2.50–2.92 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 9–13°. All Al–O bond lengths are 1.92 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent La3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent La3+ and two equivalent Al3+ atoms.},
doi = {10.17188/1652483},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Works referenced in this record:

Electrical behavior of Y-doped Ba0.6Sr0.4TiO3 thin films
journal, May 2007