U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmCo3 by Materials Project
Abstract
SmCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Sm–Co bond distances ranging from 2.92–3.16 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.91 Å) and twelve longer (3.21 Å) Sm–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Sm and seven Co atoms to form a mixture of face, edge, and corner-sharing CoSm5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.59 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Sm and six equivalent Co atoms to form CoSm6Co6 cuboctahedra that share corners with twelve equivalent CoSm5Co7 cuboctahedra, edges with six equivalent CoSm6Co6 cuboctahedra, and faces with eighteen equivalent CoSm5Co7 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1101053
- 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-Sm; SmCo3; crystal structure
- OSTI Identifier:
- 1676856
- DOI:
- https://doi.org/10.17188/1676856
Citation Formats
Materials Data on SmCo3 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1676856.
Materials Data on SmCo3 by Materials Project. United States. doi:https://doi.org/10.17188/1676856
2018.
"Materials Data on SmCo3 by Materials Project". United States. doi:https://doi.org/10.17188/1676856. https://www.osti.gov/servlets/purl/1676856. Pub date:Wed Jul 18 04:00:00 UTC 2018
@article{osti_1676856,
title = {Materials Data on SmCo3 by Materials Project},
abstractNote = {SmCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Sm–Co bond distances ranging from 2.92–3.16 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.91 Å) and twelve longer (3.21 Å) Sm–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Sm and seven Co atoms to form a mixture of face, edge, and corner-sharing CoSm5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.59 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Sm and six equivalent Co atoms to form CoSm6Co6 cuboctahedra that share corners with twelve equivalent CoSm5Co7 cuboctahedra, edges with six equivalent CoSm6Co6 cuboctahedra, and faces with eighteen equivalent CoSm5Co7 cuboctahedra.},
doi = {10.17188/1676856},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}