PXRD

CIF file (1526734) from [1] used for calculation of the XRD pattern for bulk Co₃O₄. [1] Kotousova, I. S.; Polyakov, S. M. Electron diffraction study of Co₃O₄. Kristallografiya 1972, 17 (3), 661. 1526734.cif

Python notebook to carry out the analysis of the PXRD pattern and calculate the pattern for bulk Co₃O₄ from CIF file (1526734)[1]. [1] Kotousova, I. S.; Polyakov, S. M. Electron diffraction study of Co₃O₄. Kristallografiya 1972, 17 (3), 661. CL20250803_AnalyzePXRD.ipynb

PXRD of Co₃O₄ kindly provided by Dr. Georg Bendt. The PXRD patterns were recorded on a Bruker D8 Advance powder diffractometer using Bragg-Brentano geometry at room temperature with Cu Kα radiation (λ = 1.5418 Å, 40 kV, and 40 mA). The powder samples were examined in the range between 5 ° and 90 ° (2θ) with a step size of 0.01 ° (2θ). PXRD_cpy_131_repro_calc.xy

Result plot from fitting Pseudo-Voigt profiles to the XRD pattern and applying Scherrer equation. PXRD_cpy_131_repro_calc_result.tif

Results from fitting Pseudo-Voigt profiles to the pattern and applying Scherrer equation. PXRD_cpy_131_repro_calc_result.txt