U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TbCu5Sn by Materials Project
Abstract
TbCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of Tb–Cu bond distances ranging from 2.90–3.39 Å. There are a spread of Tb–Sn bond distances ranging from 3.28–3.41 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Tb, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuTb3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.59 Å. Both Cu–Sn bond lengths are 2.81 Å. In the second Cu site, Cu is bonded to three equivalent Tb, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuTb3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.56 Å. There are one shorter (2.77 Å) and one longer (2.79 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb, five Cu, and one Sn atom. The Cu–Sn bond length is 2.79 Å. In the fourth Cu site, Cu is bonded inmore »
- Publication Date:
- Other Number(s):
- mp-1208378
- 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-Sn-Tb; TbCu5Sn; crystal structure
- OSTI Identifier:
- 1718727
- DOI:
- https://doi.org/10.17188/1718727
Citation Formats
Materials Data on TbCu5Sn by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1718727.
Materials Data on TbCu5Sn by Materials Project. United States. doi:https://doi.org/10.17188/1718727
2020.
"Materials Data on TbCu5Sn by Materials Project". United States. doi:https://doi.org/10.17188/1718727. https://www.osti.gov/servlets/purl/1718727. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1718727,
title = {Materials Data on TbCu5Sn by Materials Project},
abstractNote = {TbCu5Sn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent Sn atoms. There are a spread of Tb–Cu bond distances ranging from 2.90–3.39 Å. There are a spread of Tb–Sn bond distances ranging from 3.28–3.41 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Tb, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuTb3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.59 Å. Both Cu–Sn bond lengths are 2.81 Å. In the second Cu site, Cu is bonded to three equivalent Tb, seven Cu, and two equivalent Sn atoms to form a mixture of face, edge, and corner-sharing CuTb3Cu7Sn2 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.50–2.56 Å. There are one shorter (2.77 Å) and one longer (2.79 Å) Cu–Sn bond lengths. In the third Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Tb, five Cu, and one Sn atom. The Cu–Sn bond length is 2.79 Å. In the fourth Cu site, Cu is bonded in a 4-coordinate geometry to three equivalent Tb, four Cu, and three equivalent Sn atoms. There are one shorter (2.64 Å) and two longer (3.02 Å) Cu–Sn bond lengths. Sn is bonded in a 1-coordinate geometry to four equivalent Tb and ten Cu atoms.},
doi = {10.17188/1718727},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}