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Study on the Effecting Factors of Quantitative Analysis by Rietveld Method

GAN Yan-ling;JIN Tou-nan;NIE Guang-lin;CUI Su-ping;GUO Jun;College of Materials Science and Engineering,Beijing University of Technology;  
In order to study the quantitative analysis by the Rietveld method,the internal standard method,K value method and heat insulation method were analyzed.And the factors which affected the results of the Rietveld method had been studied,which included the collection range of pattern,the peak shape function and the temperature factor.The results indicated that the Rietveld method was more accurate than other quantitative methods.The structure information of crystal phase was only needed and the internal standard was not unnecessary for the Rietveld method.In addition,the collection range of pattern depended on the tested materials,and the scanning range should include the main diffraction peak of the sample.Smaller step size and longer scan time of each step made the fitting factor smaller,also the calculated pattern coincided with the measured pattern better.The fundamental parameter method could calculate the peak shape by geometric parameters of experimental instrument,which could simplify the refinement process and reduce artificial error.During the fitting process,the fitting factor which has obtained by refining the cationic temperature factor was smaller than that obtained by refining the temperature factor of oxygen ions,also the testing result was more accurate.And when using the structural information of database,the fitting factors were the minimum and the fitting results were the best.
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