U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GdLuO3 by Materials Project
Abstract
GdLuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded to six O2- atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 42–45°. There are a spread of Lu–O bond distances ranging from 2.19–2.23 Å. Gd3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Gd3+ atoms to form distorted corner-sharing OGd2Lu2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and three equivalent Gd3+ atoms.
- Publication Date:
- Other Number(s):
- mp-756424
- 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; Gd-Lu-O; GdLuO3; crystal structure
- OSTI Identifier:
- 1290504
- DOI:
- https://doi.org/10.17188/1290504
Citation Formats
Materials Data on GdLuO3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1290504.
Materials Data on GdLuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1290504
2017.
"Materials Data on GdLuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1290504. https://www.osti.gov/servlets/purl/1290504. Pub date:Mon Jul 24 00:00:00 EDT 2017
@article{osti_1290504,
title = {Materials Data on GdLuO3 by Materials Project},
abstractNote = {GdLuO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu3+ is bonded to six O2- atoms to form corner-sharing LuO6 octahedra. The corner-sharing octahedra tilt angles range from 42–45°. There are a spread of Lu–O bond distances ranging from 2.19–2.23 Å. Gd3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Gd3+ atoms to form distorted corner-sharing OGd2Lu2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and three equivalent Gd3+ atoms.},
doi = {10.17188/1290504},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}