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Lesson 1: XRD and Rietveld Refinement

Lesson 1 XRD and Rietveld RefinementNicola D belinRMS Foundation, Bettlach, SwitzerlandMarch 2, 2015, Lyon, FrancePowder Diffraction2n = 2 d sin( )d 2 (120)(100)(010)Powder sampleX-ray Diffractometer3 SampleX-ray TubeDetectorStartScanEnd2 angleDigital Diffractometers4 Transmission GeometryGlass CapillaryFoilFluid CellCapillaries are ideal for: Light atoms (Polymers, Pharmaceuticals) Small amounts Hazardous materials Air-sensitive materialsUse characteristic radiation with low absorption coefficientFlat powder sampleReflective GeometryReflective Geometry is ideal for: Absorbing materials (Ceramics, Metals) Thin films Texture analysisUse characteristic radiation with high absorption coefficientDiffraction Pattern510203040506002004006008001000 Int

Diffraction Angle [°2 θ] Calculate theoretical diffraction pattern Compare with measured pattern Optimize structure model, repeat calculation 10 20 30 40 50 60 0 1000 2000 3000 4000 Diffraction Angle [°2 θ] Minimize differences between calculated and observed pattern by least-squares method

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