Direct method of determining the lattice parameters of a phase from X-ray diffraction pattern of multi-phase

Abstract

A new method of determining lattice parameters by peak fitting of X-ray diffraction pattern, without involving structure parameters, is introduced. The method can be applied to a single phase and one phase in multi-phase diffraction patterns. It can avoid getting different fitting results caused by using different extrapolation functions, and can get a more accurate result in a short time. The application program of the method has been used in the practical work. For improving the fitting accuracy, the program can also adjust off-axis deviation of the sample surface and the goniometric mechanical zero.