Materials Data on Nd(FeB)4 by Materials Project
NdFe4B4 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Nd3+ is bonded in a 12-coordinate geometry to eight equivalent B3- atoms. There are four shorter (2.79 Å) and four longer (2.84 Å) Nd–B bond lengths. Fe+2.25+ is bonded in a 5-coordinate geometry to five equivalent B3- atoms. There are a spread of Fe–B bond distances ranging from 2.01–2.38 Å. B3- is bonded in a 5-coordinate geometry to two equivalent Nd3+, five equivalent Fe+2.25+, and one B3- atom. The B–B bond length is 1.76 Å.
- 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:
- 1715971
- Report Number(s):
- mp-1106404
- Country of Publication:
- United States
- Language:
- English
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