Implanted Fe atoms in hcp Zr, Ti, and Hf occupy both substitutional an
d interstitial lattice sites. In all three systems, substitutional Fe
is found to be strongly magnetic, while interstitial Fe is nonmagnetic
. First principles calculations for the magnetic properties and the is
omer shift have been carried out for substitutional sites (by two inde
pendent methods) and for the interstitial sites. The theoretical predi
ctions for both lattice sites are in excellent agreement with the expe
rimental results.