Journal of the American Chemical Society, Vol.122, No.40, 9621-9627, 2000
Synthesis, structure, and bonding of hypoelectronic SrIn4: Direct example of a dominant size effect in structure selection
The structure of the new title compound, the same type as EuIn4, was refined in the monoclinic space group C2/m, with Z = 4. The compound exhibits a complex three-dimensional network built of four-and five-bonded indium atoms in fused and interbonded pentagons that sandwich the strontium atoms. Both electronic band-structure calculations and property measurements show that the compound is metallic. A detailed band-structure analysis indicates that the compound is hypoelectronic with a one-electron deficiency, but the In-In bonding is effectively optimized in the structure. The important role of cation size in the structure choice is noted in a comparative study of BaIn4, which has the closely related BaAl4-type structure in which barium atoms are sandwiched by six-membered rings.