Cation substitution and strain screening in framework structures: The role of rigid unit modes

Goodwin, A. L. and Wells, S. A. and Dove, M. T. (2006) Cation substitution and strain screening in framework structures: The role of rigid unit modes. Chemical Geology, 225 (3-4). pp. 213-221. DOI 10.1016/j.chemgeo.2005.08.015

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Abstract

We use a combination of real-space geometric algebra and reciprocal space dynamical matrix analyses to study the effect of cation substitution on the framework geometries of β-quartz, cordierite and leucite. We show that the geometric stress associated with the substitution in these framework silicates is absorbed by rigid-unit type motion of those coordination polyhedra near the substitution site. We find that the inherent flexibility of these structures enables screening of geometric stress, such that the associated energy cost is minimal and unlikely to influence substitution patterns.

Item Type: Article
Uncontrolled Keywords: 2006 AREP IA52 2006 P
Divisions: 03 - Mineral Sciences
Journal or Publication Title: Chemical Geology
Volume: 225
Page Range: pp. 213-221
Identification Number: 10.1016/j.chemgeo.2005.08.015
Depositing User: Sarah Humbert
Date Deposited: 16 Feb 2009 13:02
Last Modified: 23 Jul 2013 10:07
URI: http://eprints.esc.cam.ac.uk/id/eprint/330

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