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Potassium Disorder in the Defect Pyrochlore KSbTeO6: A Neutron Diffraction Study

1
Instituto de Ciencia de Materiales de Madrid Consejo Superior de Investigaciones Científicas., Cantoblanco, E-28049 Madrid, Spain
2
Nanotech (Centro de Investigación en Nanociencia y Nanotecnología), Universidad Tecnológica Nacional-Facultad Regional Córdoba, 5016 Córdoba, Argentina
3
Institut de Ciència de Materials de Barcelona, Consejo Superior de Investigaciones Científicas, Bellaterra, E-08193 Barcelona, Spain
4
ALBA Synchrotron, Cerdanyola del Vallès, E-08290 Barcelona, Spain
5
Institut Laue Langevin, BP 156X, F-38042 Grenoble, France
*
Author to whom correspondence should be addressed.
Academic Editors: Helmut Cölfen and Silvina Pagola
Crystals 2017, 7(1), 24; https://doi.org/10.3390/cryst7010024
Received: 25 November 2016 / Revised: 13 December 2016 / Accepted: 26 December 2016 / Published: 13 January 2017
(This article belongs to the Special Issue Structural Analysis of Crystalline Materials from Powders)
KSbTeO6 defect pyrochlore has been prepared from K2C2O4, Sb2O3, and 15% excess TeO2 by solid-state reaction at 850 °C. Direct methods implemented in the software EXPO2013 allowed establishing the basic structural framework. This was followed by a combined Rietveld refinement from X-ray powder diffraction (XRD) and neutron powder diffraction (NPD) data, which unveiled additional structural features. KSbTeO6 is cubic, a = 10.1226(7) Å, space group F d 3 ¯ m , Z = 8 and it is made of a mainly covalent framework of corner-sharing (Sb,Te)O6 octahedra, with weakly bonded K+ ions located within large cages. The large K-O distances, 3.05(3)–3.07(3) Å, and quite large anisotropic atomic displacement parameters account for the easiness of K+ exchange for other cations of technological importance. View Full-Text
Keywords: pyrochlores; AB2O6; ASbTeO6; neutron powder diffraction; ionic diffusion pyrochlores; AB2O6; ASbTeO6; neutron powder diffraction; ionic diffusion
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Alonso, J.A.; Mayer, S.; Falcón, H.; Turrillas, X.; Fernández-Díaz, M.T. Potassium Disorder in the Defect Pyrochlore KSbTeO6: A Neutron Diffraction Study. Crystals 2017, 7, 24.

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