Präparation und Kristallstrukturen von Rb8In11, K8Tl11 und Rb8Tl11sowie Bandstrukturrechnungen zu K8In11 / Preparation and Crystal Structures of Rb8In11, K8Tl11, and Rb8Tl11 Band Structure Calculations on K8In11

Abstract

The isotypic compounds K8In11, Rb8In11, K8Tl11, and Rb8Tl11 were prepared from the elements. The crystal structures were determined by single crystal X-ray diffraction methods. (K8In11: a = 1002.1(3), c = 5089.1(8) pm; Rb8In11: a = 1030.1(3), c = 5236.7(7) pm; Κ8Τl11: a = 999.1(3), c = 5084.8(7) pm; Rb8Tl11: a = 1028.0(3), c = 5230.5(7) pm, R3̄c, Z = 6). The crystal structures contain In11- and Tl11-clusters, respectively, of pentacapped trigonal prisms. Band structure calculations on K8In11 confirm an [In11]7-“anion”, with one excess electron per In11-cluster involved in alkalimetal-earthmetal bonding.