Refinement of the crystal structure of calcioancylite-(Ce) by the Rietveld method

Abstract

The crystal structure of calcioancylite-(Ce) of the (Ca0.30Sr0.22)Σ0.52(Ce0.78La0.47Nd0.16Pr0.05Sm0.02)Σ1.48(CO3)2((OH)1.20F0.28)Σ1.48 · 1.97H2O composition from alkali hydrothermalites of Mont Saint-Hilaire, Canada, has been refined by the Rietveld method. The refinement details are as follows: ADP-2 diffractometer, λCuK α radiation, Ni filter, 10.50° < 2θ < 140.00°, and the number of reflections (α1 + α2) 652. All calculations have been performed within the sp. gr. Pmcn (a = 5.0095(1) Å, b = 8.5006(1) Å, c = 7.2670(1) Å, V = 309.46(1) Å3, R wp = 3.45) in the anisotropic approximation of thermal vibrations for cations.

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Correspondence to Yu. V. Belovitskaya.

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Original Russian Text © Yu.V. Belovitskaya, I.V. Pekov, E.R. Gobechiya, Yu.K. Kabalov, 2013, published in Kristallografiya, 2013, Vol. 58, No. 2, pp. 197–200.

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Belovitskaya, Y.V., Pekov, I.V., Gobechiya, E.R. et al. Refinement of the crystal structure of calcioancylite-(Ce) by the Rietveld method. Crystallogr. Rep. 58, 216–219 (2013). https://doi.org/10.1134/S1063774513020053

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Keywords

  • Crystallography Report
  • Rietveld Method
  • Rhodochrosite
  • Calcio
  • Vertex Polyhedron