U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TbAlNi4 by Materials Project
Abstract
TbNi4Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Al atoms. There are a spread of Tb–Ni bond distances ranging from 2.80–3.16 Å. All Tb–Al bond lengths are 3.21 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tb, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.46 Å. Both Ni–Al bond lengths are 2.44 Å. In the second Ni site, Ni is bonded to four equivalent Tb, six Ni, and two equivalent Al atoms to form a mixture of distorted face, edge, and corner-sharing NiTb4Al2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.51 Å. Both Ni–Al bond lengths are 2.45 Å. Al is bonded in a 12-coordinate geometry to four equivalent Tb and eight Ni atoms.
- Publication Date:
- Other Number(s):
- mp-1217581
- 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; TbAlNi4; crystal structure
- OSTI Identifier:
- 1688170
- DOI:
- https://doi.org/10.17188/1688170
Citation Formats
Materials Data on TbAlNi4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1688170.
Materials Data on TbAlNi4 by Materials Project. United States. doi:https://doi.org/10.17188/1688170
2020.
"Materials Data on TbAlNi4 by Materials Project". United States. doi:https://doi.org/10.17188/1688170. https://www.osti.gov/servlets/purl/1688170. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1688170,
title = {Materials Data on TbAlNi4 by Materials Project},
abstractNote = {TbNi4Al crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to fourteen Ni and four equivalent Al atoms. There are a spread of Tb–Ni bond distances ranging from 2.80–3.16 Å. All Tb–Al bond lengths are 3.21 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Tb, four equivalent Ni, and two equivalent Al atoms. All Ni–Ni bond lengths are 2.46 Å. Both Ni–Al bond lengths are 2.44 Å. In the second Ni site, Ni is bonded to four equivalent Tb, six Ni, and two equivalent Al atoms to form a mixture of distorted face, edge, and corner-sharing NiTb4Al2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.51 Å. Both Ni–Al bond lengths are 2.45 Å. Al is bonded in a 12-coordinate geometry to four equivalent Tb and eight Ni atoms.},
doi = {10.17188/1688170},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}