Materials Data on TbFe2 by Materials Project
TbFe2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to twelve Fe atoms. There are nine shorter (3.04 Å) and three longer (3.05 Å) Tb–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six equivalent Tb and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeTb6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.57 Å. In the second Fe site, Fe is bonded to six equivalent Tb and six Fe atoms to form a mixture of corner, edge, and face-sharing FeTb6Fe6 cuboctahedra. There are two shorter (2.57 Å) and two longer (2.62 Å) Fe–Fe bond lengths.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1655887
- Report Number(s):
- mp-1102431
- Country of Publication:
- United States
- Language:
- English
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