Journal article
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
- 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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- Copyright date:
- 2005
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