Structural studies of the orientational order–disorder phase transition in calcite

Dove, M. T. and Swainson, I. P. and Powell, B. M. and Tennant, D. C. (2005) Structural studies of the orientational order–disorder phase transition in calcite. Physics and Chemistry of Minerals, 32 (7). pp. 493-503. DOI

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Neutron powder diffraction studies of calcite on heating towards the orientational order–disorder phase transition show that the phase transition is not a simple analogue of an Ising-like transition, but more similar to a rotational analogue of Lindemann melting. The transition is precipitated by the librational amplitude of the carbonate molecular ions exceeding a critical value rather than a result of a statistical entropy of ‘wrong’ orientations. Using tested interatomic potentials the single-particle orientational potential and nearest-neighbour orientational interactions have been calculated.

Item Type: Article
Uncontrolled Keywords: 2005 AREP 2005 P IA49
Subjects: 03 - Mineral Sciences
Divisions: 03 - Mineral Sciences
Journal or Publication Title: Physics and Chemistry of Minerals
Volume: 32
Page Range: pp. 493-503
Identification Number:
Depositing User: Sarah Humbert
Date Deposited: 17 May 2011 10:27
Last Modified: 23 Jul 2013 09:58

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