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Title: Materials Data on Ba2LaIrO6 by Materials Project

Abstract

Ba2LaIrO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent LaO6 octahedra, and faces with four equivalent IrO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.87–3.28 Å. La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. All La–O bond lengths are 2.35 Å. Ir5+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent LaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. All Ir–O bond lengths are 1.99 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one La3+, and one Ir5+ atom.

Authors:
Publication Date:
Other Number(s):
mp-550081
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; Ba2LaIrO6; Ba-Ir-La-O
OSTI Identifier:
1267403
DOI:
https://doi.org/10.17188/1267403

Citation Formats

The Materials Project. Materials Data on Ba2LaIrO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267403.
The Materials Project. Materials Data on Ba2LaIrO6 by Materials Project. United States. doi:https://doi.org/10.17188/1267403
The Materials Project. 2020. "Materials Data on Ba2LaIrO6 by Materials Project". United States. doi:https://doi.org/10.17188/1267403. https://www.osti.gov/servlets/purl/1267403. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267403,
title = {Materials Data on Ba2LaIrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2LaIrO6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent LaO6 octahedra, and faces with four equivalent IrO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.87–3.28 Å. La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent IrO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. All La–O bond lengths are 2.35 Å. Ir5+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent LaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 11°. All Ir–O bond lengths are 1.99 Å. O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one La3+, and one Ir5+ atom.},
doi = {10.17188/1267403},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}