U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LuTiO3 by Materials Project
Abstract
LuTiO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.17–2.70 Å. Ti3+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are four shorter (2.05 Å) and two longer (2.06 Å) Ti–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Ti3+ atoms to form distorted corner-sharing OLu2Ti2 trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Lu3+ and two equivalent Ti3+ atoms.
- Publication Date:
- Other Number(s):
- mp-754231
- 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; Lu-O-Ti; LuTiO3; crystal structure
- OSTI Identifier:
- 1289311
- DOI:
- https://doi.org/10.17188/1289311
Citation Formats
Materials Data on LuTiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289311.
Materials Data on LuTiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1289311
2020.
"Materials Data on LuTiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1289311. https://www.osti.gov/servlets/purl/1289311. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1289311,
title = {Materials Data on LuTiO3 by Materials Project},
abstractNote = {LuTiO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Lu–O bond distances ranging from 2.17–2.70 Å. Ti3+ is bonded to six O2- atoms to form corner-sharing TiO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are four shorter (2.05 Å) and two longer (2.06 Å) Ti–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Ti3+ atoms to form distorted corner-sharing OLu2Ti2 trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Lu3+ and two equivalent Ti3+ atoms.},
doi = {10.17188/1289311},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}