Abstract
The series of compounds CaLi xAl 2 − x was synthesized and structurally characterized in order to probe the effect of valence electron concentration on both global and local structural features in main group intermetallics. CaLi x Al 2 − x compounds adopt Laves phase structures and show the following trend: (i) x = 0, MgCu 2 type; (ii) 0.25 < x < 0.75, MgNi 2 type; (iii) 0.80 < x < 1.0, MgZn 2 type; (iv) 1.0 < x < 2.0, two-phase region; (v) x = 2, MgZn 2 type. Extended Hückel calculations are used to examine local chemical bonding effects and to rationalize the observed bond distance trends and arrangement of atomic constituents in this system.
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