U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaYO3 by Materials Project
Abstract
LaYO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.81 Å. Y3+ is bonded to six O2- atoms to form corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Y–O bond distances ranging from 2.26–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Y3+ atoms. In the second O2- site, O2- is bonded to two equivalent La3+ and two equivalent Y3+ atoms to form distorted corner-sharing OLa2Y2 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-10429
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; La-O-Y; LaYO3; crystal structure
- OSTI Identifier:
- 1187114
- DOI:
- https://doi.org/10.17188/1187114
Citation Formats
Materials Data on LaYO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187114.
Materials Data on LaYO3 by Materials Project. United States. doi:https://doi.org/10.17188/1187114
2020.
"Materials Data on LaYO3 by Materials Project". United States. doi:https://doi.org/10.17188/1187114. https://www.osti.gov/servlets/purl/1187114. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1187114,
title = {Materials Data on LaYO3 by Materials Project},
abstractNote = {LaYO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.81 Å. Y3+ is bonded to six O2- atoms to form corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Y–O bond distances ranging from 2.26–2.32 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Y3+ atoms. In the second O2- site, O2- is bonded to two equivalent La3+ and two equivalent Y3+ atoms to form distorted corner-sharing OLa2Y2 trigonal pyramids.},
doi = {10.17188/1187114},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}