U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TmAlCo4 by Materials Project
Abstract
TmCo4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tm is bonded in a 6-coordinate geometry to fifteen Co and three equivalent Al atoms. There are three shorter (2.90 Å) and twelve longer (3.18 Å) Tm–Co bond lengths. All Tm–Al bond lengths are 2.90 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Tm, six equivalent Co, and three equivalent Al atoms to form CoTm3Al3Co6 cuboctahedra that share corners with nine equivalent AlTm3Co9 cuboctahedra, corners with twelve equivalent CoTm4Al2Co6 cuboctahedra, edges with six equivalent CoTm3Al3Co6 cuboctahedra, faces with three equivalent AlTm3Co9 cuboctahedra, and faces with twenty CoTm3Al3Co6 cuboctahedra. All Co–Co bond lengths are 2.41 Å. All Co–Al bond lengths are 2.90 Å. In the second Co site, Co is bonded to four equivalent Tm, six Co, and two equivalent Al atoms to form distorted CoTm4Al2Co6 cuboctahedra that share corners with four equivalent AlTm3Co9 cuboctahedra, corners with twenty CoTm3Al3Co6 cuboctahedra, edges with ten equivalent CoTm4Al2Co6 cuboctahedra, faces with six equivalent AlTm3Co9 cuboctahedra, and faces with sixteen CoTm3Al3Co6 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.55 Å) Co–Co bond lengths. Both Co–Al bond lengths are 2.44 Å.more »
- Publication Date:
- Other Number(s):
- mp-1216604
- 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; Al-Co-Tm; TmAlCo4; crystal structure
- OSTI Identifier:
- 1719601
- DOI:
- https://doi.org/10.17188/1719601
Citation Formats
Materials Data on TmAlCo4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1719601.
Materials Data on TmAlCo4 by Materials Project. United States. doi:https://doi.org/10.17188/1719601
2020.
"Materials Data on TmAlCo4 by Materials Project". United States. doi:https://doi.org/10.17188/1719601. https://www.osti.gov/servlets/purl/1719601. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1719601,
title = {Materials Data on TmAlCo4 by Materials Project},
abstractNote = {TmCo4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tm is bonded in a 6-coordinate geometry to fifteen Co and three equivalent Al atoms. There are three shorter (2.90 Å) and twelve longer (3.18 Å) Tm–Co bond lengths. All Tm–Al bond lengths are 2.90 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Tm, six equivalent Co, and three equivalent Al atoms to form CoTm3Al3Co6 cuboctahedra that share corners with nine equivalent AlTm3Co9 cuboctahedra, corners with twelve equivalent CoTm4Al2Co6 cuboctahedra, edges with six equivalent CoTm3Al3Co6 cuboctahedra, faces with three equivalent AlTm3Co9 cuboctahedra, and faces with twenty CoTm3Al3Co6 cuboctahedra. All Co–Co bond lengths are 2.41 Å. All Co–Al bond lengths are 2.90 Å. In the second Co site, Co is bonded to four equivalent Tm, six Co, and two equivalent Al atoms to form distorted CoTm4Al2Co6 cuboctahedra that share corners with four equivalent AlTm3Co9 cuboctahedra, corners with twenty CoTm3Al3Co6 cuboctahedra, edges with ten equivalent CoTm4Al2Co6 cuboctahedra, faces with six equivalent AlTm3Co9 cuboctahedra, and faces with sixteen CoTm3Al3Co6 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.55 Å) Co–Co bond lengths. Both Co–Al bond lengths are 2.44 Å. Al is bonded to three equivalent Tm and nine Co atoms to form distorted AlTm3Co9 cuboctahedra that share corners with twenty-one CoTm3Al3Co6 cuboctahedra, edges with six equivalent AlTm3Co9 cuboctahedra, faces with two equivalent AlTm3Co9 cuboctahedra, and faces with twenty-one CoTm3Al3Co6 cuboctahedra.},
doi = {10.17188/1719601},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}