VESTA Tutorial: Simulation of XRD patterns - Matrix transformation of {h k l} planes Miller indices

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  • เผยแพร่เมื่อ 8 ม.ค. 2025
  • This VESTA tutorial demonstrates the following:
    1. How to download and analyze .cif (Crystallographic Information File) from Open Crystallographic Database using VESTA program?
    2. How to simulate X-ray diffraction patterns in VESTA from the crystal unit cell volume?
    3. How to interpret and view the lattice planes, d-spacing in a 3-dimensional way?
    4. How to perform matrix transformation correctly, in {hkl} Miller indices planes?
    5. Matrix transformation by using simple matrix multiplication followed by the location of the new Miller plane after the transformation.
    6. Identification of Miller {hkl} planes from crystal dimensions and XRD patterns.
    7. Correlates the unit cell dimensions, d-spacing and 2-theta (2θ).
    By
    Dr. M Kanagasabapathy
    Assistant Professor, Department of Chemistry
    Rajapalayam Rajus’ College, Madurai Kamaraj University
    Rajapalayam 626117 (Tamilnadu) INDIA
    Homepage: www.enote.page/
    This video tutorial related to the following crystallographic topics:
    Simulation of Powder XRD patterns
    {h k l} Miller Indices
    VESTA computer program
    Interpretation of .cif (Crystallographic information file)
    Crystalline lattice parameters - d-spacing
    2θ, 2-theta and diffraction angle
    Matrix transformation
    Lattice planes in a unit cell of a crystal
    Matrix multiplication
    Weiss indices

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