Materials Data on Ba2LaIrO6 by Materials Project
Abstract
Ba2LaIrO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.83–3.33 Å. La3+ is bonded to six O2- atoms to form LaO6 octahedra that share corners with six equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 10–14°. There are four shorter (2.35 Å) and two longer (2.36 Å) La–O bond lengths. Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with six equivalent LaO6 octahedra. The corner-sharing octahedra tilt angles range from 10–14°. All Ir–O bond lengths are 1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one La3+, and one Ir5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one La3+, and one Ir5+ atom. In the third O2- site, 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-15889
- 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:
- 1191430
- DOI:
- https://doi.org/10.17188/1191430
Citation Formats
The Materials Project. Materials Data on Ba2LaIrO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1191430.
The Materials Project. Materials Data on Ba2LaIrO6 by Materials Project. United States. doi:https://doi.org/10.17188/1191430
The Materials Project. 2020.
"Materials Data on Ba2LaIrO6 by Materials Project". United States. doi:https://doi.org/10.17188/1191430. https://www.osti.gov/servlets/purl/1191430. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1191430,
title = {Materials Data on Ba2LaIrO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2LaIrO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ba–O bond distances ranging from 2.83–3.33 Å. La3+ is bonded to six O2- atoms to form LaO6 octahedra that share corners with six equivalent IrO6 octahedra. The corner-sharing octahedra tilt angles range from 10–14°. There are four shorter (2.35 Å) and two longer (2.36 Å) La–O bond lengths. Ir5+ is bonded to six O2- atoms to form IrO6 octahedra that share corners with six equivalent LaO6 octahedra. The corner-sharing octahedra tilt angles range from 10–14°. All Ir–O bond lengths are 1.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one La3+, and one Ir5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one La3+, and one Ir5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ba2+, one La3+, and one Ir5+ atom.},
doi = {10.17188/1191430},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}