Getting the most from total scattering

Tucker, M. G. and Dove, M. T. and Keen, D. A. and Goodwin, A. L. and Wells, S. A. and Hui, Q. (2005) Getting the most from total scattering. Acta Crystallographica, A61. C95.

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Total scattering, an extension of the powder diffraction method, is increasingly being used to study crystalline materials. The unique combination of Bragg and diffuse scattering can be used to determine both the average structure and the short-range fluctuations from this average within a single experiment. To maximise the structural information from such data three-dimensional atomic models consistent with all aspects of the data are required. Here I present a technique for producing such models based on the reverse Monte Carlo (RMC) method. The existing RMC method has been expanded to take explicit account of the Bragg intensity profile from crystalline materials

Item Type: Article
Uncontrolled Keywords: 2006 AREP IA50 2005 P
Subjects: 03 - Mineral Sciences
Divisions: 03 - Mineral Sciences
Journal or Publication Title: Acta Crystallographica
Volume: A61
Page Range: C95
Depositing User: Sarah Humbert
Date Deposited: 08 Nov 2010 16:52
Last Modified: 23 Jul 2013 09:59

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