Obtaining data for the calculation of dihedral ϕ angles formed between pairs of crystalline planes in single-phase materials

The present article describes a methodology with which it is possible to discriminate the crystalline structure of the chemical element 13Al as a way of demonstrating how it is possible to collect, catalog, visually represent, compile and integrate, through cataloged .CIF files, the main geometric characteristics of a crystalline cell as well as, after a detailed three-dimensional visualization, calculate the dihedral ɸ angle formed by the intersection between indexed crystalline planes. Aluminum was chosen because it is a very popular material in the metalmechanical industry, resistant to oxidation, light, ductile and widely used in everyday life. The standard aluminum diffractogram was used as a starting point to identify the X-ray diffraction peaks that characterize the single phase that occurs at various 2Ɵ angles and under various percentage intensities. Finally, the 11 dihedral angles calculated using the equation adopted for this purpose were tabulated. The results are presented and discussed.