Analysis of Rietveld Method Application for Gyrolite Crystal Structure Refinement

  • Arūnas BALTUŠNIKAS Lithuanian Energy Institute, Kaunas University of Technology
  • Irena LUKOŠIŪTĖ Lithuanian Energy Institute
  • Rimantas LEVINSKAS Lithuanian Energy Institute
  • Albertas GRYBĖNAS Lithuanian Energy Institute
  • Kęstutis BALTAKYS Kaunas University of Technology
  • Anatolijus EISINAS Kaunas University of Technology
Keywords: layered silicate, gyrolite, crystal structure, XRD, Rietveld refinement, bond restraints


The several simulated X-ray diffraction patterns for calcium silicate hydrate – gyrolite were calculated with GSAS program using the structural model of natural mineral gyrolite and profile parameters values determined from refining crystal structure of real synthetic gyrolite. To determine the limits of the Rietveld method applicability for synthetic gyrolite crystal structure refinement, each simulated pattern was refined by using a biased starting structural model of gyrolite. The complete and precise refinement of all parameters of gyrolite crystal structure was achieved only using structural restraints on bond lengths in tetrahedral, octahedral and interlayer sheets of silicate.