Materials Data on Sm7Al7Co6 by Materials Project
Sm7Co6Al7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 11-coordinate geometry to six Co and five Al atoms. There are two shorter (2.91 Å) and four longer (3.01 Å) Sm–Co bond lengths. There are a spread of Sm–Al bond distances ranging from 3.00–3.28 Å. In the second Sm site, Sm is bonded in a 1-coordinate geometry to four Co and seven Al atoms. There are a spread of Sm–Co bond distances ranging from 2.63–3.07 Å. There are a spread of Sm–Al bond distances ranging from 3.10–3.32 Å. In the third Sm site, Sm is bonded in a distorted body-centered cubic geometry to eight equivalent Al atoms. All Sm–Al bond lengths are 3.11 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to four Sm, one Co, and four Al atoms. The Co–Co bond length is 2.38 Å. There are two shorter (2.49 Å) and two longer (2.68 Å) Co–Al bond lengths. In the second Co site, Co is bonded in a 9-coordinate geometry to six Sm and three Al atoms. There are two shorter (2.53 Å) and one longer (2.67 Å) Co–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded to five Sm, five Co, and two equivalent Al atoms to form distorted AlSm5Al2Co5 cuboctahedra that share corners with two equivalent AlSm8Co4 cuboctahedra and faces with four AlSm5Al2Co5 cuboctahedra. Both Al–Al bond lengths are 2.78 Å. In the second Al site, Al is bonded to eight Sm and four equivalent Co atoms to form distorted AlSm8Co4 cuboctahedra that share corners with four equivalent AlSm5Al2Co5 cuboctahedra and faces with six AlSm8Co4 cuboctahedra. In the third Al site, Al is bonded in a 2-coordinate geometry to seven Sm, two equivalent Co, and one Al atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1732474
- Report Number(s):
- mp-1209190
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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