High temperature powder diffraction and
✍
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