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Open AccessArticle

Rietveld Analysis of Elpidite Framework Flexibility Using in Situ Powder XRD Data of Thermally Treated Samples

1
Institute of Mineralogy and Crystallography, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria
2
Geological Institute, Bulgarian Academy of Science, 1113 Sofia, Bulgaria
*
Author to whom correspondence should be addressed.
Minerals 2020, 10(7), 639; https://doi.org/10.3390/min10070639
Received: 19 June 2020 / Revised: 9 July 2020 / Accepted: 15 July 2020 / Published: 19 July 2020
(This article belongs to the Special Issue The Rietveld Method in Geomaterials Characterisation)
The present study demonstrates the capabilities of the Rietveld procedure to track the structural transformations and framework flexibility on the example of the natural water-containing zirconosilicate elpidite, subjected (in bulk) to thermal treatment from room temperature to 300 °C. The methodological approach to the performed refinements and the obtained results are in accordance with the previously reported data from in situ single crystal X-ray diffraction studies on heated samples of the same mineral. More light has been drawn on the temperature interval in which the non-reconstructive topotactic phase transition occurs upon partial dehydration. The framework flexibility observed as a response to the water loss and subsequent thermal expansion was evaluated in terms of intentionally introduced set of geometric parameters characterizing the spatial orientation of symmetrically related zirconium octahedra in the structure, the coordination polyhedra volumes, their distortion indices, and bond angle variances. View Full-Text
Keywords: elpidite; microporous zirconosilicate; heteropolyhedral framework flexibility; phase transition; Rietveld analysis; in situ powder XRD elpidite; microporous zirconosilicate; heteropolyhedral framework flexibility; phase transition; Rietveld analysis; in situ powder XRD
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MDPI and ACS Style

Kostov-Kytin, V.V.; Kerestedjian, T.N. Rietveld Analysis of Elpidite Framework Flexibility Using in Situ Powder XRD Data of Thermally Treated Samples. Minerals 2020, 10, 639. https://doi.org/10.3390/min10070639

AMA Style

Kostov-Kytin VV, Kerestedjian TN. Rietveld Analysis of Elpidite Framework Flexibility Using in Situ Powder XRD Data of Thermally Treated Samples. Minerals. 2020; 10(7):639. https://doi.org/10.3390/min10070639

Chicago/Turabian Style

Kostov-Kytin, Vladislav V.; Kerestedjian, Thomas N. 2020. "Rietveld Analysis of Elpidite Framework Flexibility Using in Situ Powder XRD Data of Thermally Treated Samples" Minerals 10, no. 7: 639. https://doi.org/10.3390/min10070639

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