In:
Zeitschrift für Kristallographie - Crystalline Materials, Walter de Gruyter GmbH, Vol. 220, No. 2-3 ( 2005-3-1), p. 128-134
Abstract:
An incommensurately modulated structure of CeSi 1.82 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 I 2/ b ( αβ 0)00. The modulation wave vector was determined to q = 0.410(1) · a * + 0.610(1) · b *. The refinement was done using harmonic modulation functions for the displacement and the occupation probability of the atoms, the quality parameters converged to R obs = 3.33% ( R obs = 2.56% for the main reflections, R obs = 8.88% for the 1st order satellite reflections and R obs = 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.
Type of Medium:
Online Resource
ISSN:
2196-7105
,
2194-4946
DOI:
10.1524/zkri.220.2.128.59116
Language:
English
Publisher:
Walter de Gruyter GmbH
Publication Date:
2005
SSG:
13
