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Usually the Jahn-Teller effect of Cu 2+  in a regular octahedral host lattice site leads to a tetragonal elongation with a small o-rhombic component. If the relevant crystallographic site is slightly tetragonally compressed however in the host lattice structure already – as in Ba 2 ZnF 6  – the Jahn-Teller effect may stabilize this distortion symmetry as well. This can be deduced from the EPR-spectroscopic g n  -values of 1.99 for the mixed crystals Ba 2 Zn 1-x Cu x F 6  up to x = 0.3. The angular overlap parameters obtained from the ligand field spectra suggest in addition, that the tetragonal compression of the CuF 6  polyhedra is considerable, with CuF distances of about 1.90 Å (2 x) and 2.14 Å (4 x), respectively.

zeitschrift für naturforschung b

Cu 2+ -Ionen in tetragonal gestauchten Koordinationsoktaedern — Spektroskopische Untersuchungen zum Jahn-Teller-Effekt von Cu 2+  in Mischkristallen Ba 2 Cu x Zn 1-x F 6 .: Cu 2+  in Tetragonally Compressed Octahedral Coordination - Spectroscopic Investigations of Mixed Crystals Ba 2 Cu x Zn 1-x F 6