U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LuAlO3 by Materials Project
Abstract
LuAlO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent O2- atoms to form distorted LuO6 octahedra that share corners with six equivalent AlO5 trigonal bipyramids and edges with six equivalent LuO6 octahedra. All Lu–O bond lengths are 2.21 Å. Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share corners with six equivalent LuO6 octahedra and corners with six equivalent AlO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There is two shorter (1.84 Å) and three longer (1.96 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Lu3+ and one Al3+ atom to form a mixture of distorted corner and edge-sharing OLu3Al tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Al3+ atoms.
- Publication Date:
- Other Number(s):
- mp-755358
- 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:
- 1289957
- DOI:
- https://doi.org/10.17188/1289957
Citation Formats
Materials Data on LuAlO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289957.
Materials Data on LuAlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1289957
2020.
"Materials Data on LuAlO3 by Materials Project". United States. doi:https://doi.org/10.17188/1289957. https://www.osti.gov/servlets/purl/1289957. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1289957,
title = {Materials Data on LuAlO3 by Materials Project},
abstractNote = {LuAlO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent O2- atoms to form distorted LuO6 octahedra that share corners with six equivalent AlO5 trigonal bipyramids and edges with six equivalent LuO6 octahedra. All Lu–O bond lengths are 2.21 Å. Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share corners with six equivalent LuO6 octahedra and corners with six equivalent AlO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There is two shorter (1.84 Å) and three longer (1.96 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Lu3+ and one Al3+ atom to form a mixture of distorted corner and edge-sharing OLu3Al tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Al3+ atoms.},
doi = {10.17188/1289957},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}