U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YbTiO3 by Materials Project
Abstract
YbTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent O2- atoms to form distorted YbO6 pentagonal pyramids that share corners with nine equivalent TiO6 octahedra, edges with three equivalent YbO6 pentagonal pyramids, and a faceface with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 38–64°. There are three shorter (2.28 Å) and three longer (2.37 Å) Yb–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form distorted TiO6 octahedra that share corners with nine equivalent YbO6 pentagonal pyramids, edges with three equivalent TiO6 octahedra, and a faceface with one YbO6 pentagonal pyramid. There are three shorter (1.89 Å) and three longer (2.13 Å) Ti–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Yb2+ and two equivalent Ti4+ atoms.
- Publication Date:
- Other Number(s):
- mp-753164
- 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-Ti-Yb; YbTiO3; crystal structure
- OSTI Identifier:
- 1288918
- DOI:
- https://doi.org/10.17188/1288918
Citation Formats
Materials Data on YbTiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1288918.
Materials Data on YbTiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1288918
2020.
"Materials Data on YbTiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1288918. https://www.osti.gov/servlets/purl/1288918. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1288918,
title = {Materials Data on YbTiO3 by Materials Project},
abstractNote = {YbTiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent O2- atoms to form distorted YbO6 pentagonal pyramids that share corners with nine equivalent TiO6 octahedra, edges with three equivalent YbO6 pentagonal pyramids, and a faceface with one TiO6 octahedra. The corner-sharing octahedra tilt angles range from 38–64°. There are three shorter (2.28 Å) and three longer (2.37 Å) Yb–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form distorted TiO6 octahedra that share corners with nine equivalent YbO6 pentagonal pyramids, edges with three equivalent TiO6 octahedra, and a faceface with one YbO6 pentagonal pyramid. There are three shorter (1.89 Å) and three longer (2.13 Å) Ti–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Yb2+ and two equivalent Ti4+ atoms.},
doi = {10.17188/1288918},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}