U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm2Ru2O7 by Materials Project
Abstract
Sm2Ru2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm3+ is bonded to eight O2- atoms to form distorted SmO8 hexagonal bipyramids that share edges with six equivalent SmO8 hexagonal bipyramids and edges with six equivalent RuO6 octahedra. There are two shorter (2.24 Å) and six longer (2.53 Å) Sm–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 SmO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. All Ru–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sm3+ atoms to form OSm4 tetrahedra that share corners with sixteen OSm4 tetrahedra and edges with six equivalent OSm2Ru2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Ru4+ atoms to form a mixture of distorted edge and corner-sharing OSm2Ru2 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-17113
- 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-Sm; Sm2Ru2O7
- OSTI Identifier:
- 1192339
- DOI:
- https://doi.org/10.17188/1192339
Citation Formats
Materials Data on Sm2Ru2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192339.
Materials Data on Sm2Ru2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1192339
2020.
"Materials Data on Sm2Ru2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1192339. https://www.osti.gov/servlets/purl/1192339. Pub date:Mon Jul 13 20:00:00 EDT 2020
@article{osti_1192339,
title = {Materials Data on Sm2Ru2O7 by Materials Project},
abstractNote = {Sm2Ru2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm3+ is bonded to eight O2- atoms to form distorted SmO8 hexagonal bipyramids that share edges with six equivalent SmO8 hexagonal bipyramids and edges with six equivalent RuO6 octahedra. There are two shorter (2.24 Å) and six longer (2.53 Å) Sm–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 SmO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. All Ru–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sm3+ atoms to form OSm4 tetrahedra that share corners with sixteen OSm4 tetrahedra and edges with six equivalent OSm2Ru2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Ru4+ atoms to form a mixture of distorted edge and corner-sharing OSm2Ru2 tetrahedra.},
doi = {10.17188/1192339},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}