U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm2O3 by Materials Project
Abstract
Sm2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.28–2.66 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 six equivalent OSm6 octahedra, corners with six equivalent OSm4 tetrahedra, edges with three equivalent OSm6 octahedra, and edges with three equivalent OSm4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–56°. In the second O2- site, O2- is bonded to six equivalent Sm3+ atoms to form OSm6 octahedra that share corners with twelve equivalent OSm4 tetrahedra, edges with six equivalent OSm6 octahedra, and edges with six equivalent OSm4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-10733
- 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-Sm; Sm2O3; crystal structure
- OSTI Identifier:
- 1187320
- DOI:
- https://doi.org/10.17188/1187320
Citation Formats
Materials Data on Sm2O3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187320.
Materials Data on Sm2O3 by Materials Project. United States. doi:https://doi.org/10.17188/1187320
2020.
"Materials Data on Sm2O3 by Materials Project". United States. doi:https://doi.org/10.17188/1187320. https://www.osti.gov/servlets/purl/1187320. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187320,
title = {Materials Data on Sm2O3 by Materials Project},
abstractNote = {Sm2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.28–2.66 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 six equivalent OSm6 octahedra, corners with six equivalent OSm4 tetrahedra, edges with three equivalent OSm6 octahedra, and edges with three equivalent OSm4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–56°. In the second O2- site, O2- is bonded to six equivalent Sm3+ atoms to form OSm6 octahedra that share corners with twelve equivalent OSm4 tetrahedra, edges with six equivalent OSm6 octahedra, and edges with six equivalent OSm4 tetrahedra.},
doi = {10.17188/1187320},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}