Cation distribution in the zirconium chloride cluster phase Cs[(Zr6C)Cl15].
Poly[caesium [[mu6-carbido-dodecakis-mu2-chloro-hexazirconium]-tri-mu2-chloro]], Cs[(Zr6C)Cl15], crystallizes in the orthorhombic space group Pmma. The structure is built up of two symmetry-independent [(Zr6C)Cl(i)12Cl(a)6/2] cluster units (where ;inner' and ;outer' ligands are denoted by i and a, respectively), which are three-dimensionally connected to form a cluster network through all six halogen atoms on the exo positions of each octahedral (Zr6C) metal unit, forming Cl(a-a) bridges. The caesium cations are distributed in several voids within the cluster network. 16 of the 23 independent atoms lie on crystallographic special positions.
Rohm
Henning W
HW
Universität Rostock, Institut für Chemie, Abt. Anorganische Chemie/Festkörperchemie, Albert-Einstein-Strasse 3a, D-18059 Rostock, Germany.
Köckerling
Martin
M