Abstract
Composition dependence of the site occupancies of constituent atoms was investigated for the ternary Ll 2 compounds Al 3 TiCr (25–28% Ti and 9–14% Cr) by means of powder X-ray diffractometry. In the region of low Ti and low Cr concentration, the ternary element Cr occupied preferentially the Al-site. Further, some antistructure defects (ASD) caused by Al atoms (Al-ASD) and Ti atoms (Ti-ASD) were observed. Total ASD-fraction increased monotonically with increase in Ti-content. On the other hand, in the region of high Ti and high Cr concentration, the existence of Cr atoms substituted on the Ti-site (Cr-ASD) was newly detected. The amount of Ti-ASD and thus the ASD-fraction indicated a rapid increase in this composition region as the result of formation of the Cr-ASD. The reliability of the defect structure determined was examined by supposing two-defect structure models. The relation of the ASD to the mechanical properties in these compounds was also examined.
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