U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TbAl4Ni by Materials Project
Abstract
TbNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Tb–Ni bond lengths are 3.17 Å. There are a spread of Tb–Al bond distances ranging from 2.99–3.36 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Tb and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.31–2.48 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tb, three equivalent Ni, and one Al atom. The Al–Al bond length is 2.95 Å. In the second Al site, Al is bonded in a distorted q6 geometry to four equivalent Tb and six Al atoms. All Al–Al bond lengths are 2.88 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to three equivalent Tb, one Ni, and four equivalent Al atoms.
- Publication Date:
- Other Number(s):
- mp-4353
- 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-Ni-Tb; TbAl4Ni; crystal structure
- OSTI Identifier:
- 1208091
- DOI:
- https://doi.org/10.17188/1208091
Citation Formats
Materials Data on TbAl4Ni by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1208091.
Materials Data on TbAl4Ni by Materials Project. United States. doi:https://doi.org/10.17188/1208091
2020.
"Materials Data on TbAl4Ni by Materials Project". United States. doi:https://doi.org/10.17188/1208091. https://www.osti.gov/servlets/purl/1208091. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1208091,
title = {Materials Data on TbAl4Ni by Materials Project},
abstractNote = {TbNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Tb–Ni bond lengths are 3.17 Å. There are a spread of Tb–Al bond distances ranging from 2.99–3.36 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Tb and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.31–2.48 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tb, three equivalent Ni, and one Al atom. The Al–Al bond length is 2.95 Å. In the second Al site, Al is bonded in a distorted q6 geometry to four equivalent Tb and six Al atoms. All Al–Al bond lengths are 2.88 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to three equivalent Tb, one Ni, and four equivalent Al atoms.},
doi = {10.17188/1208091},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}