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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-755574
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; LuAlO3; Al-Lu-O
- OSTI Identifier:
- 1290091
- DOI:
- https://doi.org/10.17188/1290091
Citation Formats
The Materials Project. Materials Data on LuAlO3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1290091.
The Materials Project. Materials Data on LuAlO3 by Materials Project. United States. doi:https://doi.org/10.17188/1290091
The Materials Project. 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 00:00:00 EDT 2017
@article{osti_1290091,
title = {Materials Data on LuAlO3 by Materials Project},
author = {The 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 = {Mon Jul 24 00:00:00 EDT 2017},
month = {Mon Jul 24 00:00:00 EDT 2017}
}