U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LuAlO3 by Materials Project
Abstract
LuAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.19–2.59 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 32–33°. There is four shorter (1.92 Å) and two longer (1.94 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Al3+ atoms to form distorted corner-sharing OLu2Al2 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Lu3+ and two equivalent Al3+ atoms.
- Publication Date:
- Other Number(s):
- mp-755574
- 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-Lu-O; LuAlO3; crystal structure
- OSTI Identifier:
- 1290091
- DOI:
- https://doi.org/10.17188/1290091
Citation Formats
Materials Data on LuAlO3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1290091.
Materials Data on LuAlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1290091
2017.
"Materials Data on LuAlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1290091. https://www.osti.gov/servlets/purl/1290091. Pub date:Mon Jul 24 04:00:00 UTC 2017
@article{osti_1290091,
title = {Materials Data on LuAlO3 by Materials Project},
abstractNote = {LuAlO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.19–2.59 Å. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedra tilt angles range from 32–33°. There is four shorter (1.92 Å) and two longer (1.94 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Al3+ atoms to form distorted corner-sharing OLu2Al2 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Lu3+ and two equivalent Al3+ atoms.},
doi = {10.17188/1290091},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}