U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TmCu5 by Materials Project
Abstract
TmCu5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to sixteen Cu atoms. There are twelve shorter (2.89 Å) and four longer (3.02 Å) Tm–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Tm and twelve equivalent Cu atoms to form distorted CuTm4Cu12 tetrahedra that share corners with twelve equivalent CuTm3Cu9 cuboctahedra, faces with twenty-eight equivalent CuTm3Cu9 cuboctahedra, and faces with twelve equivalent CuTm4Cu12 tetrahedra. All Cu–Cu bond lengths are 2.89 Å. In the second Cu site, Cu is bonded to three equivalent Tm and nine Cu atoms to form distorted CuTm3Cu9 cuboctahedra that share corners with eighteen equivalent CuTm3Cu9 cuboctahedra, corners with three equivalent CuTm4Cu12 tetrahedra, edges with six equivalent CuTm3Cu9 cuboctahedra, faces with eighteen equivalent CuTm3Cu9 cuboctahedra, and faces with seven equivalent CuTm4Cu12 tetrahedra. There are three shorter (2.45 Å) and three longer (2.49 Å) Cu–Cu bond lengths.
- Publication Date:
- Other Number(s):
- mp-30600
- 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; Cu-Tm; TmCu5; crystal structure
- OSTI Identifier:
- 1204988
- DOI:
- https://doi.org/10.17188/1204988
Citation Formats
Materials Data on TmCu5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204988.
Materials Data on TmCu5 by Materials Project. United States. doi:https://doi.org/10.17188/1204988
2020.
"Materials Data on TmCu5 by Materials Project". United States. doi:https://doi.org/10.17188/1204988. https://www.osti.gov/servlets/purl/1204988. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204988,
title = {Materials Data on TmCu5 by Materials Project},
abstractNote = {TmCu5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to sixteen Cu atoms. There are twelve shorter (2.89 Å) and four longer (3.02 Å) Tm–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Tm and twelve equivalent Cu atoms to form distorted CuTm4Cu12 tetrahedra that share corners with twelve equivalent CuTm3Cu9 cuboctahedra, faces with twenty-eight equivalent CuTm3Cu9 cuboctahedra, and faces with twelve equivalent CuTm4Cu12 tetrahedra. All Cu–Cu bond lengths are 2.89 Å. In the second Cu site, Cu is bonded to three equivalent Tm and nine Cu atoms to form distorted CuTm3Cu9 cuboctahedra that share corners with eighteen equivalent CuTm3Cu9 cuboctahedra, corners with three equivalent CuTm4Cu12 tetrahedra, edges with six equivalent CuTm3Cu9 cuboctahedra, faces with eighteen equivalent CuTm3Cu9 cuboctahedra, and faces with seven equivalent CuTm4Cu12 tetrahedra. There are three shorter (2.45 Å) and three longer (2.49 Å) Cu–Cu bond lengths.},
doi = {10.17188/1204988},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}