Description of X-ray powder pattern of turbostratically disordered layer structures with a Rietveld compatible approach
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Kristian Ufer
Abstract
We address the problem of the quantitative description of X-ray powder pattern of turbostratically disordered layer compounds. The Debye formula is used, which allows the aperiodic description of any arrangement of atoms. With the extension of Yang and Frindt (1996) for the ideal turbostratic case, these calculations are used to generate reference data that are subsequently treated by the Rietveld method. We are able to show that the case of uncorrelated turbostratic disorder can be modelled equally well in a periodic supercell approach with a single layer in the supercell that is suitable for the Rietveld technique. A brief introduction of this new model was given as an oral contribution at EUROCLAY 2003 (Ufer et al., 2003). The fundamental principles are described in this article because of its complexity. The applicability of this approach to real systems is demonstrated for smectite and corundum mixtures.
© 2004 Oldenbourg Wissenschaftsverlag GmbH
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Articles in the same Issue
- Description of X-ray powder pattern of turbostratically disordered layer structures with a Rietveld compatible approach
- Crystal structures and their enumeration via quotient graphs
- On the crystal parameters of some representatives of the NiAs family containing platinum group metals and gold
- Crystal structure determination of In3(H3O)(H2PO4)6(HPO4)2 · 4H2O from X-ray powder diffraction
- Orthorhombic ε-phases and transitional structures in Al—Pd—(Fe)
- Structure and characterization of methyl (±)-1-(2-aminophenyl)-2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-pyrrole-2-acetate
- Structure analysis and the existence of light-induced long-lived metastable states in Xn[Fe(CN)5NO] with inorganic and organic cations: Xn = Pb, (H3O+CH6N+), (C2N2H7)2 and (C16H36N)2
- Study on β-sheet packing, stabilized by aromatic interactions in a tri-peptide crystal
- High-pressure in-situ crystallization, structure and phase transitions in 1,2-dichloroethane
- Low-temperature crystal structure of RS-thiocamphor
