Materials Data on Tb2Ni17 by Materials Project
Tb2Ni17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to eighteen Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.91–3.21 Å. In the second Tb site, Tb is bonded in a 2-coordinate geometry to twenty Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.82–3.12 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded to three Tb and nine Ni atoms to form distorted NiTb3Ni9 cuboctahedra that share corners with fifteen NiTb2Ni10 cuboctahedra, edges with eight NiTb3Ni9 cuboctahedra, and faces with ten NiTb3Ni9 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.40–2.60 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to two Tb and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.36–2.70 Å. In the third Ni site, Ni is bonded in a 2-coordinate geometry to one Tb and thirteen Ni atoms. There are one shorter (2.37 Å) and three longer (2.52 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded to two equivalent Tb and ten Ni atoms to form a mixture of edge, face, and corner-sharing NiTb2Ni10 cuboctahedra.
- 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:
- 1275384
- Report Number(s):
- mp-569945
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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