Incommensurately modulated CeSi1.82

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

Abstract

An incommensurately modulated structure of CeSi1.82 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 I2/b(aβ0)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 Robs = 3.33% (Robs = 2.56% for the main reflections, Robs = 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.

Details

Original languageEnglish
Pages (from-to)128-134
Number of pages7
JournalZeitschrift fur Kristallographie
Volume220
Issue number2-3
Publication statusPublished - 2005
Peer-reviewedYes

External IDs

ORCID /0000-0001-7523-9313/work/159171516

Keywords

Sustainable Development Goals

Keywords

  • Cerium suicide, Modulated structure, Non-stoichiometry, Satellite reflections, Single crystal structure analysis, Superspace group, X-ray diffraction