Materials Data on SmZnCo2 by Materials Project
SmCo2Zn is Frank-Kasper $$\mu$$ Phase-derived structured and crystallizes in the hexagonal P6_3/mmc 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 nine equivalent Co and three equivalent Zn atoms. There are six shorter (2.93 Å) and three longer (3.21 Å) Sm–Co bond lengths. All Sm–Zn bond lengths are 3.06 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to twelve equivalent Co and six Zn atoms. All Sm–Co bond lengths are 3.29 Å. All Sm–Zn bond lengths are 2.98 Å. Co is bonded to five Sm, four equivalent Co, and three Zn atoms to form distorted CoSm5Zn3Co4 cuboctahedra that share corners with two equivalent ZnSm6Co6 cuboctahedra, corners with fifteen equivalent CoSm5Zn3Co4 cuboctahedra, edges with eight equivalent CoSm5Zn3Co4 cuboctahedra, faces with three equivalent ZnSm6Co6 cuboctahedra, and faces with eleven equivalent CoSm5Zn3Co4 cuboctahedra. There are two shorter (2.56 Å) and two longer (2.59 Å) Co–Co bond lengths. There are a spread of Co–Zn bond distances ranging from 2.52–2.60 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Co atoms. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Co atoms. In the third Zn site, Zn is bonded to six equivalent Sm and six equivalent Co atoms to form ZnSm6Co6 cuboctahedra that share corners with twelve equivalent CoSm5Zn3Co4 cuboctahedra, edges with six equivalent ZnSm6Co6 cuboctahedra, and faces with eighteen equivalent CoSm5Zn3Co4 cuboctahedra.
- 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:
- 1700785
- Report Number(s):
- mp-1208993
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on LaZnCo2 by Materials Project
Materials Data on CeZnNi2 by Materials Project