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

Abstract:
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- coordination structures are predominant in the melt. It is concluded that the structure of molten LaCl3 is isomorphous with that of molten LaBr3. © 2004 Elsevier Ltd. All rights reserved.
Publication status:
Published

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Publisher copy:
10.1016/j.jpcs.2004.06.038

Authors

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Institution:
University of Oxford
Division:
MPLS
Department:
Materials
Role:
Author


Journal:
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS More from this journal
Volume:
66
Issue:
2-4
Pages:
448-451
Publication date:
2005-01-01
DOI:
ISSN:
0022-3697


Language:
English
Keywords:
Pubs id:
pubs:369761
UUID:
uuid:f2dcec6b-ebde-43e9-bcee-aeb624be8ed4
Local pid:
pubs:369761
Source identifiers:
369761
Deposit date:
2013-11-16
ARK identifier:

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