Materials Data on TbAlNi4 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1688170
- Report Number(s):
- mp-1217581
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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