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This chapter presents the intermetallic compound Nd₅Si₄, which is the most complex among those considered so far. The structure solution was carried out in the non-centrosymmetric space group P4₁2₁2 using direct methods applied to the integrated intensities of reflections obtained by full-pattern decomposition of high-quality powder diffraction data recorded with a powerful rotating anode source. The final structure refinement, performed using the Rietveld method, employed an anisotropic approximation.

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Crystal Structure of Nd5Si4: Solved Using Direct Methods

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  • 发表日期：

    2025年

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  • Peter Zavalij,
  • Vitalij Pecharsky

摘要

This chapter presents the intermetallic compound Nd₅Si₄, which is the most complex among those considered so far. The structure solution was carried out in the non-centrosymmetric space group P4₁2₁2 using direct methods applied to the integrated intensities of reflections obtained by full-pattern decomposition of high-quality powder diffraction data recorded with a powerful rotating anode source. The final structure refinement, performed using the Rietveld method, employed an anisotropic approximation.