Gd7I12Zn: a group 12 atom in the octahedral Gd6 Cluster

Inorg Chem. 2008 Jun 2;47(11):4656-60. doi: 10.1021/ic800024n. Epub 2008 Apr 22.

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).