U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tb2O3 by Materials Project
Abstract
Tb2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.23–2.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tb3+ atoms to form OTb4 tetrahedra that share corners with six equivalent OTb6 octahedra, corners with six equivalent OTb4 tetrahedra, edges with three equivalent OTb6 octahedra, and edges with three equivalent OTb4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–55°. In the second O2- site, O2- is bonded to six equivalent Tb3+ atoms to form OTb6 octahedra that share corners with twelve equivalent OTb4 tetrahedra, edges with six equivalent OTb6 octahedra, and edges with six equivalent OTb4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-13063
- 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; O-Tb; Tb2O3; crystal structure
- OSTI Identifier:
- 1189358
- DOI:
- https://doi.org/10.17188/1189358
Citation Formats
Materials Data on Tb2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189358.
Materials Data on Tb2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1189358
2020.
"Materials Data on Tb2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1189358. https://www.osti.gov/servlets/purl/1189358. Pub date:Fri Jul 24 04:00:00 UTC 2020
@article{osti_1189358,
title = {Materials Data on Tb2O3 by Materials Project},
abstractNote = {Tb2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tb–O bond distances ranging from 2.23–2.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Tb3+ atoms to form OTb4 tetrahedra that share corners with six equivalent OTb6 octahedra, corners with six equivalent OTb4 tetrahedra, edges with three equivalent OTb6 octahedra, and edges with three equivalent OTb4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–55°. In the second O2- site, O2- is bonded to six equivalent Tb3+ atoms to form OTb6 octahedra that share corners with twelve equivalent OTb4 tetrahedra, edges with six equivalent OTb6 octahedra, and edges with six equivalent OTb4 tetrahedra.},
doi = {10.17188/1189358},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 24 04:00:00 UTC 2020},
month = {Fri Jul 24 04:00:00 UTC 2020}
}