Incommensurately Modulated Structure of K2SeO4

Abstract
The modulated structure in the incommensurate phase of K 2 SeO 4 has been analyzed at 113 K by X-ray diffractometry based on the concept of four-dimensional space. The final R -factor was 0.046 for all 905 reflections and 0.087 for 326 satellite reflections. The modulation is characterized by the rotation of SeO 4 groups around b -direction and the associated translation of K atoms along c -axis. The eigenvector of the modulation mode was determined from the observed atomic displacement pattern and it is compared with that of Σ 2 soft mode determined by neutron experiment. 1)

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