U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AlGaO3 by Materials Project
Abstract
GaAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ga3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ga–O bond distances ranging from 1.94–2.02 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Al–O bond distances ranging from 1.88–2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ga3+ and two equivalent Al3+ atoms to form distorted corner-sharing OAl2Ga2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ga3+ and two equivalent Al3+ atoms.
- Publication Date:
- Other Number(s):
- mp-756686
- 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; Al-Ga-O; AlGaO3; crystal structure
- OSTI Identifier:
- 1290595
- DOI:
- https://doi.org/10.17188/1290595
Citation Formats
Materials Data on AlGaO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290595.
Materials Data on AlGaO3 by Materials Project. United States. doi:https://doi.org/10.17188/1290595
2020.
"Materials Data on AlGaO3 by Materials Project". United States. doi:https://doi.org/10.17188/1290595. https://www.osti.gov/servlets/purl/1290595. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1290595,
title = {Materials Data on AlGaO3 by Materials Project},
abstractNote = {GaAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ga3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Ga–O bond distances ranging from 1.94–2.02 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Al–O bond distances ranging from 1.88–2.01 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ga3+ and two equivalent Al3+ atoms to form distorted corner-sharing OAl2Ga2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ga3+ and two equivalent Al3+ atoms.},
doi = {10.17188/1290595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}