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First-order phase transition in the Li2B12H12 system

The thermal decomposition of anhydrous Pa3[combining macron] Li2B12H12 was studied in situ by high resolution synchrotron X-ray diffraction. A first-order phase transition can be observed at 355 °C where the unit cell volume expands by ca. 8.7%. The expanded β-Li2B12H12 polymorph simultaneously deco...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2013-10, Vol.15 (38), p.15825-15828
Main Authors: PASKEVICIUS, Mark, PITT, Mark P, BROWN, David H, SHEPPARD, Drew A, CHUMPHONGPHAN, Somwan, BUCKLEY, Craig E
Format: Article
Language:English
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Summary:The thermal decomposition of anhydrous Pa3[combining macron] Li2B12H12 was studied in situ by high resolution synchrotron X-ray diffraction. A first-order phase transition can be observed at 355 °C where the unit cell volume expands by ca. 8.7%. The expanded β-Li2B12H12 polymorph simultaneously decomposes to a hydrogen poor γ-Li2B12H12-x phase. Expansion of the unit cell across the discontinuity is consistent with reorientational motion of B12H12(2-) anions, and the presence of a frustrated Li(+) lattice indicating Li ion conduction.
ISSN:1463-9076
1463-9084
DOI:10.1039/c3cp53090f