U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErRhO3 by Materials Project
Abstract
ErRhO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.21–2.72 Å. Rh3+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 41–45°. There are a spread of Rh–O bond distances ranging from 2.07–2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Er3+ and two equivalent Rh3+ atoms. In the second O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Rh3+ atoms to form distorted corner-sharing OEr2Rh2 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-1213022
- 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; Er-O-Rh; ErRhO3; crystal structure
- OSTI Identifier:
- 1744993
- DOI:
- https://doi.org/10.17188/1744993
Citation Formats
Materials Data on ErRhO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1744993.
Materials Data on ErRhO3 by Materials Project. United States. doi:https://doi.org/10.17188/1744993
2020.
"Materials Data on ErRhO3 by Materials Project". United States. doi:https://doi.org/10.17188/1744993. https://www.osti.gov/servlets/purl/1744993. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1744993,
title = {Materials Data on ErRhO3 by Materials Project},
abstractNote = {ErRhO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.21–2.72 Å. Rh3+ is bonded to six O2- atoms to form corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 41–45°. There are a spread of Rh–O bond distances ranging from 2.07–2.09 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Er3+ and two equivalent Rh3+ atoms. In the second O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Rh3+ atoms to form distorted corner-sharing OEr2Rh2 trigonal pyramids.},
doi = {10.17188/1744993},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}