Preprint Article Version 1 NOT YET PEER-REVIEWED

Comments about Rietveld Analysis and Tolerance Factor: Y Doped BaTiO3

  1. Academic Area of Earth Science and Materials, Universidad Autónoma del Estado de Hidalgo, AACTyM, Carretera Pachuca−Tulancingo km. 4.5, C.P. 42184, Mineral de la Reforma, Pachuca de Soto 42039, Hidalgo, México
  2. Mechanical Engineering Department, Technological Institute of Pachuca, Road México-Pachuca km. 87.5, Pachuca de Soto 42080, Hidalgo, México
  3. Metallurgy and Materials Department, ESIQIE-IPN. UPALM, Zacatenco, México 07738, D.F., México
Version 1 : Received: 28 October 2016 / Approved: 28 October 2016 / Online: 28 October 2016 (08:09:48 CEST)

How to cite: Lira-Hernández, I.; Barrientos-Hernández, F.; Pérez-Labra, M.; García-Mercado, A.; Romero-Serrano, J. Comments about Rietveld Analysis and Tolerance Factor: Y Doped BaTiO3. Preprints 2016, 2016100126 (doi: 10.20944/preprints201610.0126.v1). Lira-Hernández, I.; Barrientos-Hernández, F.; Pérez-Labra, M.; García-Mercado, A.; Romero-Serrano, J. Comments about Rietveld Analysis and Tolerance Factor: Y Doped BaTiO3. Preprints 2016, 2016100126 (doi: 10.20944/preprints201610.0126.v1).

Abstract

The aim of this work is to compare two softwares (MAUD and TOPAS) based on the Rietveld algorithm and to test the concept of tolerance factor using the dissolution at high temperature of yttrium into BaTiO3. In general, both softwares give up different values of the crystalline parameters however the trends are similar in most cases but the analysis of the strain and crystallite size in the BaTiO3 crystals suggests that, in this particular case, MAUD offered results more consistent with the expected behavior. Using the crystalline parameters calculated by Rietveld, the tolerance factor values were obtained and these data suggest even better stability in the crystalline structure than that expected using theoretical parameters. Tolerance factor concept also indicates that Ti4+ should be preferred.

Subject Areas

A. Ceramics; A. Oxides; C. X-ray diffraction; D. Crystal structure; D. Microstructure

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