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- Publisher
- Wiley
- Copyright
- Copyright © 2001 Wiley Subscription Services, Inc., A Wiley Company
- ISSN
- 0044-8249
- eISSN
- 1521-3757
- DOI
- 10.1002/1521-3757(20010504)113:9<1674::AID-ANGE16740>3.0.CO;2-U
- Publisher site
- See Article on Publisher Site
Abstract
Aus vielen kristallinen Festkörpern lassen sich keine hinreichend großen und/oder für die Untersuchung mit Einkristall‐Röntgenbeugungsverfahren qualitativ geeigneten Einkristalle erhalten. Darum ist für das Verständnis der strukturellen Eigenschaften solcher Stoffe die Möglichkeit zur Strukturbestimmung aus Pulverbeugungsdaten absolut notwendig. Obwohl man den Schritt der Verfeinerung bei der Strukturbestimmung aus Pulverbeugungsdaten mit der Rietveld‐Methode zur Verfeinerung des Profils routinemäßig durchführen kann, sind mit der Lösung der Kristallstruktur direkt aus den Daten von Pulveraufnahmen einige Schwierigkeiten verbunden. Gleichwohl hat man in den letzten Jahren auf diesem Gebiet hinsichtlich der Anwendungsmöglichkeiten und der Aussagekraft wesentliche Fortschritte erzielt. In diesem Beitrag werden die strukturellen Probleme solcher Strukturbestimmungen hervorgehoben, die man inzwischen direkt ausgehend von Pulverbeugungsdaten angehen kann, ebenso werden neue Anwendungen aus anderen Bereichen der Chemie vorgestellt. Die zugrunde liegenden Methoden werden kurz behandelt, wobei wir schwerpunktmäßig auf kürzlich entwickelte Methoden für den Schritt der Strukturlösung im Strukturbestimmungsverfahren eingehen.
Journal
Angewandte Chemie – Wiley
Published: Apr 4, 2001
Keywords: ; ;