U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeGaO3 by Materials Project
Abstract
CeGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.37–2.77 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There are two shorter (2.01 Å) and four longer (2.02 Å) Ga–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ce3+ and two equivalent Ga3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1019598
- 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; Ce-Ga-O; CeGaO3; crystal structure
- OSTI Identifier:
- 1350883
- DOI:
- https://doi.org/10.17188/1350883
Citation Formats
Materials Data on CeGaO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350883.
Materials Data on CeGaO3 by Materials Project. United States. doi:https://doi.org/10.17188/1350883
2020.
"Materials Data on CeGaO3 by Materials Project". United States. doi:https://doi.org/10.17188/1350883. https://www.osti.gov/servlets/purl/1350883. Pub date:Mon Jul 13 20:00:00 EDT 2020
@article{osti_1350883,
title = {Materials Data on CeGaO3 by Materials Project},
abstractNote = {CeGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.37–2.77 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There are two shorter (2.01 Å) and four longer (2.02 Å) Ga–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ce3+ and two equivalent Ga3+ atoms.},
doi = {10.17188/1350883},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}