Probability Computer Method of Determining the Lattice Parameters from Powder Diffraction Data

Abstract

The procedure which is utilized to derive the lattice constants of unknown substance from its powder X-ray diffraction data is described in the present paper. The essential point of the procedure is based on the probability which can be treated most readily by an electronic computer. Separate programs have been prepared for each of orthorhombic, monoclinic and triclinic systems. They have been tested with some of the powder diffraction data, which are already indexed. Both lattice constants and index assignment have been proved to be derived reliably in many cases, though depending on the quality of given diffraction data.