Neutron powder diffraction study of the orientational order-disorder phase transition in calcite, CaCO3

Dove, M. T. and Swainson, I. P. and Powell, B. M. and Tennant, D. C. (2005) Neutron powder diffraction study of the orientational order-disorder phase transition in calcite, CaCO3. Physics and Chemistry of Minerals, 32 (7). pp. 493-503. DOI 10.1007/s00269-005-0026-1

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Abstract

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: 10.1007/s00269-005-0026-1
Depositing User: Sarah Humbert
Date Deposited: 08 Jun 2011 09:54
Last Modified: 23 Jul 2013 09:58
URI: http://eprints.esc.cam.ac.uk/id/eprint/1629

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