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ChemInform Abstract: The High-Temperature Polymorphs of K3AlF6.

✍ Scribed by Graham King; Artem M. Abakumov; Patrick M. Woodward; Anna Llobet; Alexander A. Tsirlin; Dmitry Batuk; Evgeny V. Antipov

Publisher
John Wiley and Sons
Year
2011
Weight
24 KB
Volume
42
Category
Article
ISSN
0931-7597

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✍ Ľ. Smrčok; M. Kucharík; M. Tovar; I. Žižak 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 227 KB

## Abstract Neutron and synchrotron powder diffraction data for β‐cryolite were collected within 550‐800(880) °C. Atomic coordinates of Al, F and Na atoms were obtained by both neutron Rietveld refinement and energy minimization in solid state at DFT level of theory. It was shown that although Riet