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Location of Rare-Earth Atoms in Isomorphous Series of Complex Oxides by Employment of Difference Fourier Syntheses Based on X-ray Powder Profile Analysis: $La_3LnBaCu_5O_{13+\delta}$ (Ln = Y, La, Nd or Gd) and $LnBa_2Cu_3O_{7\pm\delta}$ (Ln = Y, Nd, Pr, Gd or Dy)

Rangavittal, N and Row, Guru TN and Rao, CNR (1993) Location of Rare-Earth Atoms in Isomorphous Series of Complex Oxides by Employment of Difference Fourier Syntheses Based on X-ray Powder Profile Analysis: $La_3LnBaCu_5O_{13+\delta}$ (Ln = Y, La, Nd or Gd) and $LnBa_2Cu_3O_{7\pm\delta}$ (Ln = Y, Nd, Pr, Gd or Dy). In: Journal of Applied Crystallography, 26 (3). pp. 363-367.

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Abstract

Analysis of the X-ray powder diffraction profiles of an isomorphous series of inorganic solids has been carried out for two series of complex oxides: $La_3LnBaCu_5O_{13+\delta} $(Ln = Y, Nd or Gd) and $LnBa_2Cu_3O_{7\pm\delta}$ (Ln = Y, Nd, Pr, Gd or Dy). In this method, profile and structure refinements of a reference compound are followed by a difference Fourier synthesis to locate the positional parameters of a substituent atom. A linear correlation exists between the Fourier peak height in the difference Fourier map and the atomic number of the substituent atom. By an analysis of relative peak height in the correlation plot, the extent of cation disorder, if any, can be determined.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 04 Jul 2006
Last Modified: 19 Sep 2010 04:30
URI: http://eprints.iisc.ernet.in/id/eprint/7911

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