U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeAlO3 by Materials Project
Abstract
CeAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ce–O bond distances ranging from 2.45–3.01 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 15–16°. There is four shorter (1.91 Å) and two longer (1.93 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ce3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Ce3+ and two equivalent Al3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-776167
- 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; CeAlO3; Al-Ce-O
- OSTI Identifier:
- 1304157
- DOI:
- https://doi.org/10.17188/1304157
Citation Formats
The Materials Project. Materials Data on CeAlO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1304157.
The Materials Project. Materials Data on CeAlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1304157
The Materials Project. 2020.
"Materials Data on CeAlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1304157. https://www.osti.gov/servlets/purl/1304157. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1304157,
title = {Materials Data on CeAlO3 by Materials Project},
author = {The Materials Project},
abstractNote = {CeAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Ce–O bond distances ranging from 2.45–3.01 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 15–16°. There is four shorter (1.91 Å) and two longer (1.93 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent Ce3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Ce3+ and two equivalent Al3+ atoms.},
doi = {10.17188/1304157},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}