Structural study of the apatite Nd8Sr2Si6O26 by Laue neutron diffraction and single-crystal raman spectroscopy

Autor: Timothy J. White, Peter R. Slater, Tom Baikie, Ross O. Piltz, Alodia Orera, María Luisa Sanjuán, Tao An, J. S. Herrin
Přispěvatelé: Ministerio de Economía y Competitividad (España), Ministerio de Ciencia e Innovación (España), Agency for Science, Technology and Research A*STAR (Singapore), School of Materials Science and Engineering, Energy Research Institute @ NTU (ERI@N)
Rok vydání: 2014
Předmět:
Zdroj: Digital.CSIC. Repositorio Institucional del CSIC
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Popis: et al.
A single-crystal structure determination of Nd8Sr 2Si6O26 apatite, a prototype intermediate-temperature electrolyte for solid oxide fuel cells grown by the floating-zone method, was completed using the combination of Laue neutron diffraction and Raman spectroscopy. While neutron diffraction was in good agreement with P63/m symmetry, the possibility of P63 could not be convincingly excluded. This ambiguity was removed by the collection of orientation-dependent Raman spectra that could only be consistent with P63/m. The composition of Nd8Sr2Si 6O26 was independently verified by powder X-ray diffraction in combination with electron probe microanalysis, with the latter confirming a homogeneous distribution of Sr and the absence of chemical zonation commonly observed in apatites. This comprehensive crystallochemical description of Nd8Sr2Si6O26 provides a baseline to quantify the efficacy of cation vacancies, oxygen superstoichiometry, and symmetry modification for promoting oxygen-ion mobility. © 2014 American Chemical Society.
This work was supported by A*STAR (Agency for Science, Technology and Research) SERC Grant 082 101 0021 (“Optimization of Apatite Anion Sublattices in Solid Oxide Fuel Cell Electrolytes”) and by Spanish Government Grant MAT2010-19837-C06-06. A.O. acknowledges financial support provided by the Spanish Ministerio de Ciencia e Innovación through a Juan de la Cierva contract.
Databáze: OpenAIRE