Gd(7)I(12)Zn: A group 12 atom in the octahedral Gd(6) cluster

Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569 Stuttgart, Germany.
Inorganic Chemistry (Impact Factor: 4.79). 07/2008; 47(11):4656-60. DOI: 10.1021/ic800024n
Source: PubMed

ABSTRACT The title compound was synthesized from Gd, GdI 3 and Zn under Ar atmosphere at 850 degrees C. It crystallizes in the space group R3 (No. 148) with lattice constants a=15.686(1) A and c=10.4882(8) A. The structure features isolated Zn-centered Gd 6 octahedra with all edges and corners capped by I atoms. The disorder of the Gd atoms is rationalized via electron microscopic techniques. A computational analysis using the extended Hückel method has been carried out in order to understand the bonding of this compound. The structure of isotypic La 7I12Co is also remarked (a=16.040(1) A and c=10.905(2) A).

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