Crystal Structure Refinement of Synthetic Pure Gyrolite

  • Arūnas Baltušnikas Lithuanian Energy Institute
  • Raimundas Šiaučiūnas Kaunas University of Technology
  • Irena Lukošiūtė Lithuanian Energy Institute
  • Kęstutis Baltakys Kaunas University of Technology
  • Anatolijus Eisinas Kaunas University of Technology
  • Rita Kriūkienė Lithuanian Energy Institute
Keywords: gyrolite, crystal structure, XRD, Le Bail fitting, Rietveld refinement, Global optimization.

Abstract

Pure calcium silicate hydrate – gyrolite was prepared under the saturated steam pressure at 473 K temperature in rotating autoclave. The crystal structure of synthetic gyrolite was investigated by X-ray diffraction and refined using Le Bail, Rietveld and crystal structure modelling methods. Background, peak shape parameters and verification of the space group were performed by the Le Bail full pattern decomposition. Peculiarities of interlayer sheet X of gyrolite unit cell were highlighted by Rietveld refinement. Possible atomic arrangement in interlayer sheet X was solved by global optimization method. Most likelihood crystal structure model of gyrolite was calculated by final Rietveld refinement. It was crystallographically showed, that cell parameters are: a = 0.9713(2) nm, b = 0.9715(2) nm, c = 2.2442(3) nm and alfa = 95.48(2) º, beta = 91.45(2) °, gamma = l20.05(3) °.

DOI: http://dx.doi.org/10.5755/j01.ms.21.1.5460

Author Biographies

Raimundas Šiaučiūnas, Kaunas University of Technology
Department of Silicate Technology
Kęstutis Baltakys, Kaunas University of Technology
Department of Silicate Technology
Anatolijus Eisinas, Kaunas University of Technology
Department of Silicate Technology
Published
2015-03-25
Section
CERAMICS AND GLASSES