Analysis of Rietveld Method Application for Gyrolite Crystal Structure Refinement

Arūnas BALTUŠNIKAS, Irena LUKOŠIŪTĖ, Rimantas LEVINSKAS, Albertas GRYBĖNAS, Kęstutis BALTAKYS, Anatolijus EISINAS

Abstract


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.

DOI: http://dx.doi.org/10.5755/j01.ms.18.4.3101


Keywords


layered silicate; gyrolite; crystal structure; XRD; Rietveld refinement; bond restraints

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Print ISSN: 1392–1320
Online ISSN: 2029–7289