U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ErLuO3 by Materials Project
Abstract
LuErO3 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 45–48°. There are a spread of Lu–O bond distances ranging from 2.18–2.25 Å. Er3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are three shorter (2.20 Å) and one longer (2.35 Å) Er–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Er3+ atoms to form distorted corner-sharing OEr2Lu2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Er3+ atom.
- Publication Date:
- Other Number(s):
- mp-778151
- 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; Er-Lu-O; ErLuO3; crystal structure
- OSTI Identifier:
- 1305464
- DOI:
- https://doi.org/10.17188/1305464
Citation Formats
Materials Data on ErLuO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1305464.
Materials Data on ErLuO3 by Materials Project. United States. doi:https://doi.org/10.17188/1305464
2020.
"Materials Data on ErLuO3 by Materials Project". United States. doi:https://doi.org/10.17188/1305464. https://www.osti.gov/servlets/purl/1305464. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1305464,
title = {Materials Data on ErLuO3 by Materials Project},
abstractNote = {LuErO3 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 45–48°. There are a spread of Lu–O bond distances ranging from 2.18–2.25 Å. Er3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are three shorter (2.20 Å) and one longer (2.35 Å) Er–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Lu3+ and two equivalent Er3+ atoms to form distorted corner-sharing OEr2Lu2 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Lu3+ and one Er3+ atom.},
doi = {10.17188/1305464},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}