Structural study of molten lanthanum halides by X-ray diffraction and computer simulation techniques

The structure of molten LaCl3 was investigated by using a high temperature X-ray diffraction with a molecular dynamics simulation technique. The obtained XRD data was nicely reproduced by the MD simulation with polarizable ionic model. The results show that 7-fold (LaCl7) 4- and/or 8-fold (LaCl8)5-...

Täydet tiedot

Bibliografiset tiedot
Päätekijät: Okamoto, Y, Madden, P
Aineistotyyppi: Journal article
Kieli:English
Julkaistu: 2005