Crystal structure determination of nanolaminated Ti5Al2C3by combined techniques of XRPD, TEM and ab initiocalculations

Crystal structure of Ti5Al2C3was determined by means of X-ray powder diffraction (XRPD), transmission electron microscopy (TEM) and ab initiocalculations. In contrast to the already known P63/mmcspace group that the MAX phases crystallize, it was demonstrated that the $$R\bar 3m$$space group could better satisfy the experimental data. The lattice parameters are a= 0.305 64 nm, c= 4.818 46 nm in a hexagonal unit cell.