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Single crystals of KBaCuV 2 O 7 Cl have been prepared by a flux technique and investigated by X-ray analysis. The compound crystallizes with tetragonal symmetry, space group C 2  4v -P4 bm, a = 8.8581, c = 5.4711 Å, Z = 2. The crystal structure shows Cu 2+  within a one sided strongly distorted CuO 4 Cl 2  octahedron. The copper ion is shifted towards the nearer Cl -  neighbour to form a CuO 4 Cl square pyramid. Two VO 4  tetrahedra are connected to give stretched V 2 O 7  double tetrahedra, and linked in planes via the oxygen corners of the CuO 4 Cl pyramids. The crystal structure and the structure of the complex BaO 8 Cl 2  polyhedron are discussed.

zeitschrift für naturforschung b

Synthese und Kristallstruktur eines Alkali-Erdalkali-Kupfer-Halogeno-Oxovanadats: KBaCuV 2 O 7 Cl / Synthesis and Crystal Structure of an Alkaline Alkaline-Earth Halide Oxide of Copper and Vanadium: KBaCuV 2 O 7 Cl