Abstract
The site occupancies for the stoichiometric excess of Mn atoms and the third element Nb in the hexagonal C14-Laves type ZrMn 2 were studied by investigating systematic changes of the lattice parameters and the broadenings of diffracted X-ray profiles with the chemical compositions for ZrMn x ( x = 0.98–2.89) and Zr(Mn 1− y Nb y ) x ( x = 0.97–2.91, y = 0.036–0.212) alloys. The excess Mn atoms in ZrMn x alloys (hypo-Zr) occupy the A sites in the hexagonal C14-Laves type AB 2 crystal. Nb atoms in Zr(Mn 1− y Nb y ) x alloys (hyper-Zr) occupy the B sites. Nb atoms in Zr(Mn 1− y Nb y ) x alloys (hypo-Zr) are substituted for Mn atoms in the A sites until Mn atoms in the A sites are exhausted. They turn to occupy the B sites after Mn atoms in the A sites are exhausted.
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