Powder diffraction:: the new automatic least-squares Fourier recycling procedure in EXPO2005

被引：19

作者：

Altomare, Angela

Cuocci, Corrado

Giacovazzo, Carmelo

Moliterni, Anna Grazia Giuseppina

Rizzi, Rosanna

机构：

[1] IC, I-70126 Bari, Italy

[2] Univ Bari, Dipartimento Geomineral, I-70125 Bari, Italy

来源：

JOURNAL OF APPLIED CRYSTALLOGRAPHY | 2006年 / 39卷

关键词：

D O I：

10.1107/S0021889806017912

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The Rietveld method is the most widely used approach for refining crystal structures from powder diffraction patterns. It requires sufficiently accurate structure models and user skill. A method is described which is often able to complete and refine a structure model by using an automatic least-squares procedure applicable to reflection integrated intensities. A weighting scheme has been devised that is capable of taking into account the lower accuracy of the estimates of the overlapping reflections.

引用

页码：558 / 562

页数：5

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