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Title: Materials Data on LaAuO3 by Materials Project

Abstract

LaAuO3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.69 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.05 Å) Au–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent La3+ and two equivalent Au3+ atoms. In the second O2- site, O2- is bonded to three equivalent La3+ and one Au3+ atom to form a mixture of distorted edge and corner-sharing OLa3Au tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-28853
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; LaAuO3; Au-La-O
OSTI Identifier:
1202934
DOI:
https://doi.org/10.17188/1202934

Citation Formats

The Materials Project. Materials Data on LaAuO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202934.
The Materials Project. Materials Data on LaAuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1202934
The Materials Project. 2020. "Materials Data on LaAuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1202934. https://www.osti.gov/servlets/purl/1202934. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1202934,
title = {Materials Data on LaAuO3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaAuO3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.69 Å. Au3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.01 Å) and two longer (2.05 Å) Au–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two equivalent La3+ and two equivalent Au3+ atoms. In the second O2- site, O2- is bonded to three equivalent La3+ and one Au3+ atom to form a mixture of distorted edge and corner-sharing OLa3Au tetrahedra.},
doi = {10.17188/1202934},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}