The effect of data quality and model parameters on the quantitative phase analysis of X-ray diffraction data by the Rietveld method

作     者：Rowles, Matthew R. 

作者机构：Curtin Univ John de Laeter Ctr Perth WA Australia 

出 版 物：《JOURNAL OF APPLIED CRYSTALLOGRAPHY》 (应用结晶学杂志)

年 卷 期：2021年第54卷第3期

页      面：878-894页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 08[工学] 080501[工学-材料物理与化学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0703[理学-化学] 0702[理学-物理学] 

主　　题：powder diffraction quantitative phase analysis Rietveld method ruggedness 

摘      要：The quality of X-ray powder diffraction data and the number and type of refinable parameters have been examined with respect to their effect on quantitative phase analysis (QPA) by the Rietveld method using data collected from two samples from the QPA round robin [Madsen, Scarlett, Cranswick & Lwin (2001). J. Appl. Cryst. 34, 409-426]. From the analyses of these best-casescenario specimens, a series of recommendations for minimum standards of data collection and analysis are proposed. It is hoped that these will aid new QPA-by-Rietveld users in their analyses.