U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TbCu5 by Materials Project
Abstract
TbCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded in a distorted hexagonal planar geometry to eighteen Cu atoms. There are six shorter (2.89 Å) and twelve longer (3.24 Å) Tb–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Tb and eight Cu atoms to form a mixture of edge, corner, and face-sharing CuTb4Cu8 cuboctahedra. There are four shorter (2.50 Å) and four longer (2.52 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb and nine Cu atoms. All Cu–Cu bond lengths are 2.89 Å.
- Publication Date:
- Other Number(s):
- mp-11363
- 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-Tb; TbCu5; crystal structure
- OSTI Identifier:
- 1187764
- DOI:
- https://doi.org/10.17188/1187764
Citation Formats
Materials Data on TbCu5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187764.
Materials Data on TbCu5 by Materials Project. United States. doi:https://doi.org/10.17188/1187764
2020.
"Materials Data on TbCu5 by Materials Project". United States. doi:https://doi.org/10.17188/1187764. https://www.osti.gov/servlets/purl/1187764. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187764,
title = {Materials Data on TbCu5 by Materials Project},
abstractNote = {TbCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded in a distorted hexagonal planar geometry to eighteen Cu atoms. There are six shorter (2.89 Å) and twelve longer (3.24 Å) Tb–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Tb and eight Cu atoms to form a mixture of edge, corner, and face-sharing CuTb4Cu8 cuboctahedra. There are four shorter (2.50 Å) and four longer (2.52 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb and nine Cu atoms. All Cu–Cu bond lengths are 2.89 Å.},
doi = {10.17188/1187764},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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