Powder XRD Methodology—Main Research Instrument in Modern Mineralogy
A special issue of Minerals (ISSN 2075-163X). This special issue belongs to the section "Crystallography and Physical Chemistry of Minerals & Nanominerals".
Deadline for manuscript submissions: closed (28 February 2022) | Viewed by 30926
Special Issue Editor
Special Issue Information
Dear Colleagues,
Powder XRD methodology is a milestone in modern crystallography and mineralogy.
Powder XRD approaches used intensively are phase analysis, Rietveld structural analyses, profile fitting peak analysis, and quantitative analysis of polycrystalline materials.
The International Centre for Diffraction Data (ICDD) is the world center for quality diffraction data to meet the needs of the technical community collecting data from Grant-in aid projects and Calculated powder patterns from single crystal structural data.
Rietveld structural analysis with powder XRD data helps with scientific challenges based on polycrystalline phases—minerals, synthetic materials, composites, etc. The development of powder XRD instrumentation, step-scanning techniques, and modern software pave the way for solving structural problems of polycrystalline materials.
Profile fitting analysis helps to determine the peak profiles broadened by microstructural factors (crystallite size and lattice disorder), providing information regarding the microstructural properties of materials. Today, nanoscience and nanomaterials have become a topical issue. The determination of the crystallite size of materials via profile analysis of powder XRD patterns is based on the FWHM of peaks, the Sherrer equation, and modern software.
Powder XRD quantitative analysis (using the Rietveld methodology) is another modern approach using the whole XRD pattern instead of the intensities of some peaks. The approach involves obtaining the best data, identifying the phases, and inputting structural data for all phases, then letting the computer model the data until it reaches the best fit for the experimental pattern. This is an optimized and speedy quantitative determination of minerals in various geological environments.
Dr. Ognyan E. Petrov
Guest Editor
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Keywords
- phase analysis
- Rietveld structural analyses
- profile fitting
- quantitative analysis
- microstructure
- crystallite size
- strain
- lattice disorder
