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Figure 6
Temperature evolution of the significant components 1 and 2 of the singular value decomposition that track the changes in the diffuse diffraction data with temperature in a heating run after quenching the sample, followed by a slow cooling. The components are scaled according to their singular values. Component 1 mostly follows the intensity of the diffuse clouds and is at its minimum when the clouds are essentially absent at room temperature; component 2 tracks the asymmetry of diffuse scattering caused by the so-called size effect, the displacive distortions of the structure towards or away from the Co(CN)6 vacancies. Three regions can be distinguished: region I corresponds to the thermodynamically metastable phase of the flash frozen sample; above 210 K, region II corresponds to the thermodynamic equilibrium phase with average crystal symmetry; region III is found below 200 K in the slowly cooled sample and its appearance is characterised by the jump in the s2 value.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
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