U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm2CoRuO6 by Materials Project
Abstract
Sm2RuCoO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.75 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are two shorter (2.02 Å) and four longer (2.04 Å) Ru–O bond lengths. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are two shorter (2.05 Å) and four longer (2.11 Å) Co–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+, one Ru4+, and one Co2+ atom to form distorted corner-sharing OSm2CoRu trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Ru4+, and one Co2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Ru4+, and one Co2+ atom.
- Publication Date:
- Other Number(s):
- mp-1208928
- 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; Co-O-Ru-Sm; Sm2CoRuO6; crystal structure
- OSTI Identifier:
- 1706835
- DOI:
- https://doi.org/10.17188/1706835
Citation Formats
Materials Data on Sm2CoRuO6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1706835.
Materials Data on Sm2CoRuO6 by Materials Project. United States. doi:https://doi.org/10.17188/1706835
2020.
"Materials Data on Sm2CoRuO6 by Materials Project". United States. doi:https://doi.org/10.17188/1706835. https://www.osti.gov/servlets/purl/1706835. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1706835,
title = {Materials Data on Sm2CoRuO6 by Materials Project},
abstractNote = {Sm2RuCoO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.75 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are two shorter (2.02 Å) and four longer (2.04 Å) Ru–O bond lengths. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are two shorter (2.05 Å) and four longer (2.11 Å) Co–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+, one Ru4+, and one Co2+ atom to form distorted corner-sharing OSm2CoRu trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Ru4+, and one Co2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sm3+, one Ru4+, and one Co2+ atom.},
doi = {10.17188/1706835},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}