The Patterson Function and the Development of a New Method for Quantitative Phase Analysis of Individual Crystalline Phases Using X-ray Powder Diffraction Technique

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  • 粉末回折法を用いた新しい定量分析法の開発とパターソン関数
  • フンマツ カイセツホウ オ モチイタ アタラシイ テイリョウ ブンセキホウ ノ カイハツ ト パターソン カンスウ

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<p>A new method, called the direct derivation（DD） method, for quantitative phase analysis（QPA） can derive weight fractions of individual crystalline phases from sets of observed intensities and chemical composition data. The Patterson function plays an important role in replacing the sum of squared structure factors, calculated in the Rietveld method, with the sum of squared numbers of electrons belonging to the atoms in the chemical formula unit. Therefore, the DD method can conduct QPA of Rietveld equivalent without referencing to structure parameters. It can be applied to QPA of mixtures containing known structure, unknown structure, and high and low crystalline materials.</p>

Journal

  • Nihon Kessho Gakkaishi

    Nihon Kessho Gakkaishi 60 (2-3), 113-120, 2018-05-31

    The Crystallographic Society of Japan

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