Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods

Crystal structure determination is the key to a detailed understanding of crystalline materials and their properties. This requires either single crystals or high‐quality single‐phase powder X‐ray diffraction data. The present contribution demonstrates a novel method to reconstruct single‐phase powd...

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Bibliographic Details

Published in:	Journal of applied crystallography Vol. 47; no. 2; pp. 659 - 667
Main Authors:	Schreyer, Martin, Guo, Liangfeng, Thirunahari, Satyanarayana, Gao, Feng, Garland, Marc
Format:	Journal Article
Language:	English
Published:	5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01-04-2014 Blackwell Publishing Ltd
Subjects:	band target entropy minimization Crystal structure Crystallography Diffraction Diffraction patterns Entropy Mathematical models mixture analysis Optimization polymorphism powder X-ray diffraction structure solution X-rays
Online Access:	Get full text
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