| Autor: |
Daniel Errandonea, Robin Turnbull, Josu Sánchez-Martín, Robert Oliva, Alfonso Muñoz, Silvana Radescu, Andres Mujica, Lewis Blackburn, Neil C. Hyatt, Catalin Popescu, Jordi Ibáñez-Insa |
| Jazyk: |
angličtina |
| Rok vydání: |
2024 |
| Předmět: |
|
| Zdroj: |
Results in Physics, Vol 61, Iss , Pp 107704- (2024) |
| Druh dokumentu: |
article |
| ISSN: |
2211-3797 |
| DOI: |
10.1016/j.rinp.2024.107704 |
| Popis: |
We present a comparative study of the high-pressure behaviours of the nuclear waste immobilisation materials zirconolite-2M, −4M, –3O, and −3T. The materials are studied under high-pressure conditions using synchrotron powder X-ray diffraction. For zirconolite-2M we also performed density-functional theory calculations. A new triclinic crystal structure (space group P 1¯), instead of the previously assigned monoclinic structure (space group C2/c) is proposed for zirconolite-2M. We named the triclinic structure as zirconolite-2TR. We also found that zirconolite-2TR undergoes a phase transition at 14.7 GPa to a monoclinic structure described by space group C2/c, which is different than the high-pressure structure previously proposed in the literature. These results are discussed in comparison with previous studies on zirconolite-2M and the related compound calzirtite. For the other three zirconolite structures (4M, 3O, and 3T) this is the first high-pressure study, and we find no evidence for pressure induced phase transitions in any of them. The linear compressibility of the studied compounds, as well as a room-temperature pressure–volume equation of state, are also presented and discussed. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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