Abstract
Gd 4I 5Si and Gd 3I 3Si were prepared from gadolinium, GdI 3 and silicon at 1050–1100 °C in tantalum ampoules. The crystal structures were determined and are isotypic with Y 4I 5C and Gd 3Cl 3C (for Gd 4I 5Si C2/ m, Z = 2, a = 18.917 5(19) A ̊ , b = 4.1966(4) A ̊ , c = 8.7099(9) A ̊ , β = 103.298(8)°, R = 2.23% and R w = 1.81% ; for Gd 3I 3Si, I4 132, Z = 8, a = 12.052(2) A ̊ , R = 3.74% and R w = 3.33% ). Gd 4I 5Si and Gd 3I 3Si have cation-deficient NaCl structures and contain infinite one-dimensional chains and a three-dimensional network of edge-sharing silicon-centred gadolinium octahedra respectively. Results of structural analyses and extended Hückel molecular orbital band calculations are presented. The importance of the ionic interactions and the metal-metal and metal-silicon bonding is discussed as is the dimensionality of the structure in regard to the optimization of the size of the Gd 6 octahedra with the interstitial atom.
Published Version
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