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The intermetallics M 7 B 3 (M = Rh, Ru) have been studied to ascertain the effect of partial replacement of M by T (T = Fe, Co) on their phase stability and site preference. The calculated results show that Fe or Co atoms preferentially substitute M at the 2b sites. The calculated lattice parameters are in good agreement with the experimental data. We have calculated the electronic...
A systemic study of the structural properties of the rare-earth intermetallics Lu 2 (Fe, T) 17 (T = Mn, Ru) and their hydrides has been performed by a series of interatomic pair potentials. The site preference of T atoms at Fe sites is evaluated and the order is given as 4f, 12k, 12j and 6g for Lu 2 (Fe, T) 17 . The interstitial H atoms only occupy 6h interstitial sites...
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