What is it about?
We present here the 2c0 superstructure of Cs2HgCl4 as determined by X-ray scattering at 120 K and compared with 5a0 and 3c0 structures. It will be shown that the driving force for the phase transitions is to resolve the underbonding of the 11-coordinated Cs atoms. The series of phase transitions is explained by the observation that the most stable environ- ment of Cs can only be reached at the expense of an envir- onment of the Hg atoms, which is less favourable.
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Why is it important?
The structural basis for the driving force of the series of phase transitions in Cs2HgCl4 is found in the variations of the environments of Cs atoms and in the variations of the distortions of the HgCl4 tetrahedra.
Perspectives
The principal difference between the 2c0 superstructure and all other phases of Cs2HgCl4 is that the Cs cations are displaced away from the centers of their coordination polyhedra in the 2c0 superstructure.
Dr Bagautdin Bagautdinov
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This page is a summary of: Structural basis for the phase transitions of Cs2HgCl4, Acta Crystallographica Section B Structural Science, May 2001, International Union of Crystallography,
DOI: 10.1107/s0108768100020322.
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