U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Yb2Ru2O7 by Materials Project
Abstract
Yb2Ru2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Yb3+ is bonded to eight O2- atoms to form distorted YbO8 hexagonal bipyramids that share edges with six equivalent YbO8 hexagonal bipyramids and edges with six equivalent RuO6 octahedra. There are two shorter (2.21 Å) and six longer (2.56 Å) Yb–O bond lengths. Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and edges with six equivalent YbO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. All Ru–O bond lengths are 1.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Yb3+ atoms to form corner-sharing OYb4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Yb3+ and two equivalent Ru4+ atoms.
- Publication Date:
- Other Number(s):
- mp-22259
- 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; crystal structure; O-Ru-Yb; Yb2Ru2O7
- OSTI Identifier:
- 1197485
- DOI:
- https://doi.org/10.17188/1197485
Citation Formats
Materials Data on Yb2Ru2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197485.
Materials Data on Yb2Ru2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1197485
2020.
"Materials Data on Yb2Ru2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1197485. https://www.osti.gov/servlets/purl/1197485. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1197485,
title = {Materials Data on Yb2Ru2O7 by Materials Project},
abstractNote = {Yb2Ru2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Yb3+ is bonded to eight O2- atoms to form distorted YbO8 hexagonal bipyramids that share edges with six equivalent YbO8 hexagonal bipyramids and edges with six equivalent RuO6 octahedra. There are two shorter (2.21 Å) and six longer (2.56 Å) Yb–O bond lengths. Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and edges with six equivalent YbO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. All Ru–O bond lengths are 1.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Yb3+ atoms to form corner-sharing OYb4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Yb3+ and two equivalent Ru4+ atoms.},
doi = {10.17188/1197485},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}