U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sm5Co19 by Materials Project
Abstract
Sm5Co19 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.87 Å) and twelve longer (3.17 Å) Sm–Co bond lengths. In the second Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Sm–Co bond distances ranging from 2.87–3.24 Å. In the third 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 2.89–3.16 Å. There are six inequivalent Co sites. In the first 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. All Co–Co bond lengths are 2.57 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six Co atoms. There are three shorter (2.42 Å) and three longer (2.46 Å) Co–Co bond lengths. In the third Co site, Co ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1191306
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Sm5Co19; Co-Sm
- OSTI Identifier:
- 1656257
- DOI:
- https://doi.org/10.17188/1656257
Citation Formats
The Materials Project. Materials Data on Sm5Co19 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1656257.
The Materials Project. Materials Data on Sm5Co19 by Materials Project. United States. doi:https://doi.org/10.17188/1656257
The Materials Project. 2019.
"Materials Data on Sm5Co19 by Materials Project". United States. doi:https://doi.org/10.17188/1656257. https://www.osti.gov/servlets/purl/1656257. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1656257,
title = {Materials Data on Sm5Co19 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm5Co19 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.87 Å) and twelve longer (3.17 Å) Sm–Co bond lengths. In the second Sm site, Sm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Sm–Co bond distances ranging from 2.87–3.24 Å. In the third 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 2.89–3.16 Å. There are six inequivalent Co sites. In the first 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. All Co–Co bond lengths are 2.57 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six Co atoms. There are three shorter (2.42 Å) and three longer (2.46 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Co atoms. All Co–Co bond lengths are 2.44 Å. In the fourth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six Co atoms. There are three shorter (2.41 Å) and three longer (2.46 Å) Co–Co bond lengths. In the fifth Co site, Co is bonded to five Sm and seven Co atoms to form distorted CoSm5Co7 cuboctahedra that share corners with seventeen CoSm6Co6 cuboctahedra, edges with eight CoSm5Co7 cuboctahedra, and faces with fourteen CoSm6Co6 cuboctahedra. There are two shorter (2.47 Å) and two longer (2.50 Å) Co–Co bond lengths. In the sixth Co site, Co is bonded to four Sm and eight Co atoms to form a mixture of corner, edge, and face-sharing CoSm4Co8 cuboctahedra. There are two shorter (2.48 Å) and two longer (2.49 Å) Co–Co bond lengths.},
doi = {10.17188/1656257},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}