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Single crystals of the new compound Tb 3 Zn 3.6(1) Al 7.4(1)  were obtained from Al and Zn-rich ternary solutions. The title compound crystallizes in the orthorhombic La 3 Al 11  structure type (space group  Immm  (No. 71),  Z  = 2;  a  = 4.2334(1) Å,  b  = 9.9725(3) Å,  c  = 12.4659(1) Å). The inverse susceptibility above ca. 50 K shows Curie-Weiss behavior, and a metamagnetic transition is apparent in the  T  = 2 K field-dependent magnetization around  H c   ∼ 20 kG. The resistivity increases with temperature in a roughly linear fashion, indicating the metallic character of this material. TB-LMTO-ASA electronic structure calculations indicate that this new intermetallic phase has all bonding states optimized in the [Zn 4–x Al 7+x ] network, which classifies this compound among the so-called “polar intermetallics”. The calculations also provide a rationalization of the nonrandom ordering of Zn and Al atoms, which can be attributed to optimizing (Zn, Al)—(Zn, Al) orbital interactions.

The coloring problem in intermetallics: bonding and properties of Tb 3 Zn 3.6 Al 7.4 with the La 3 Al 11 structure type