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Weißbach, Torsten
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article
Incommensurately modulated CeSi1.82
Abstract
<p>An incommensurately modulated structure of CeSi<sub>1.82</sub> as determined by single-crystal X-ray diffraction at room temperature is reported. The observed satellite reflections reduce the orthorhombic symmetry of the X-ray pattern to a monoclinic one. This suggests the description of the modulated structure in the monoclinic superspace group I2/b(aβ0)00. The modulation wave vector was determined to q<sup>→</sup> = 0.410(1) · a <sup>→*</sup> + 0.610(1) · b<sup>→*</sup>. The refinement was done using harmonic modulation functions for the displacement and the occupation probability of the atoms, the quality parameters converged to R<sub>obs</sub> = 3.33% (R<sub>obs</sub> = 2.56% for the main reflections, R<sub>obs</sub> = 8.88% for the 1st order satellite reflections and R <sub>obs</sub> = 33.06% for the 2nd order satellite reflections). The origin of the observed satellite reflections is attributed to a modulation of the partly occupied Si site caused by composition changes within the crystal.</p>