U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmZnCo2 by Materials Project
Abstract
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.
- Publication Date:
- Other Number(s):
- mp-1208993
- 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-Zn; SmZnCo2; crystal structure
- OSTI Identifier:
- 1700785
- DOI:
- https://doi.org/10.17188/1700785
Citation Formats
Materials Data on SmZnCo2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1700785.
Materials Data on SmZnCo2 by Materials Project. United States. doi:https://doi.org/10.17188/1700785
2019.
"Materials Data on SmZnCo2 by Materials Project". United States. doi:https://doi.org/10.17188/1700785. https://www.osti.gov/servlets/purl/1700785. Pub date:Fri Jan 11 23:00:00 EST 2019
@article{osti_1700785,
title = {Materials Data on SmZnCo2 by Materials Project},
abstractNote = {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.},
doi = {10.17188/1700785},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}