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Athanasius Kornilov
Athanasius Kornilov

How to Use Pcpdfwin Jcpds Software 13 for XRD Analysis



How to Use Pcpdfwin Jcpds Software 13 for XRD Analysis




X-ray diffraction (XRD) is a powerful technique for characterizing the crystal structure and phase composition of materials. However, to interpret the XRD patterns, one needs to compare them with reference data from known compounds. This is where Pcpdfwin Jcpds Software 13 comes in handy.




Pcpdfwin Jcpds Software 13



Pcpdfwin Jcpds Software 13 is a software that allows users to search and view the PDF database of the International Centre for Diffraction Data (ICDD). The PDF database contains over 1 million entries of powder diffraction data for various materials, including minerals, metals, alloys, ceramics, polymers, and more. The PDF database was formerly known as the JCPDS database, which stands for Joint Committee on Powder Diffraction Standards.


With Pcpdfwin Jcpds Software 13, users can easily find the PDF cards that match their XRD patterns, and obtain information such as lattice parameters, space group, atomic positions, peak positions and intensities, and references. Users can also plot the PDF cards and overlay them with their experimental data for visual comparison. Pcpdfwin Jcpds Software 13 also has features such as peak search, peak identification, peak fitting, and Rietveld refinement.


To use Pcpdfwin Jcpds Software 13 for XRD analysis, users need to have a Windows 7 32-bit operating system. Users also need to have a license to access the PDF database, which can be obtained from the ICDD website[^1^]. Once the software and the database are installed, users can launch the software and enter their search criteria, such as chemical formula, element range, crystal system, or peak position. The software will then display a list of PDF cards that match the criteria. Users can select a PDF card and view its details in a separate window. Users can also plot the PDF card and overlay it with their experimental data by importing their XRD file in ASCII format. Users can then adjust the scale, offset, background, and other parameters to optimize the fit. Users can also perform peak search, peak identification, peak fitting, and Rietveld refinement using the tools provided by the software.


Pcpdfwin Jcpds Software 13 is a useful software for XRD analysis that can help users identify the crystal structure and phase composition of their materials. However, users should be aware that the software is not updated regularly and may not contain the latest data from the ICDD. Users should also verify their results with other sources and methods before drawing any conclusions.


In this section, we will show an example of how to use Pcpdfwin Jcpds Software 13 for XRD analysis of a sample of copper oxide. The sample was prepared by heating copper metal in air at 500ÂC for 2 hours. The XRD pattern of the sample was obtained using a Cu KÎ radiation source and a diffractometer with a scanning range of 10Â to 80Â and a step size of 0.02Â. The XRD file was saved in ASCII format and imported into Pcpdfwin Jcpds Software 13.


To identify the phases present in the sample, we performed a peak search using the software. The software detected 11 peaks in the XRD pattern and displayed their positions and intensities in a table. We then performed a peak identification using the software. The software searched the PDF database for PDF cards that matched the peak positions within a tolerance of 0.2Â. The software found 4 PDF cards that matched the criteria and displayed them in a list. We selected the PDF card with the highest match score, which was PDF #00-002-1119 for CuO (tenorite). We viewed the details of the PDF card and plotted it along with the experimental data. We adjusted the scale and offset to obtain a good fit. We observed that the PDF card matched all the peaks in the XRD pattern, indicating that the sample was pure CuO.


To refine the structural parameters of the sample, we performed a Rietveld refinement using the software. The software used the PDF card as the initial model and refined the lattice parameters, atomic positions, peak shape, peak width, background, and scale factor using a least-squares method. The software displayed the refined parameters and their errors in a table. We checked the reliability factors of the refinement, such as Rwp, Rp, Rexp, and Ï2, and found that they were within acceptable ranges. We also checked the difference plot and observed that it was close to zero, indicating that the model fitted well with the experimental data. We concluded that the sample had a monoclinic structure with lattice parameters a = 4.683 Å, b = 3.422 Å, c = 5.128 Å, and Î = 99.54Â. e0e6b7cb5c


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