U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmAlO3 by Materials Project
Abstract
SmAlO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sm–O bond distances ranging from 2.34–3.02 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 17–23°. There is four shorter (1.91 Å) and two longer (1.92 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 Sm3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sm3+ and two equivalent Al3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1187025
- 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-O-Sm; SmAlO3; crystal structure
- OSTI Identifier:
- 1681379
- DOI:
- https://doi.org/10.17188/1681379
Citation Formats
Materials Data on SmAlO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681379.
Materials Data on SmAlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1681379
2020.
"Materials Data on SmAlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1681379. https://www.osti.gov/servlets/purl/1681379. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681379,
title = {Materials Data on SmAlO3 by Materials Project},
abstractNote = {SmAlO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Sm–O bond distances ranging from 2.34–3.02 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 17–23°. There is four shorter (1.91 Å) and two longer (1.92 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 Sm3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Sm3+ and two equivalent Al3+ atoms.},
doi = {10.17188/1681379},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}