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Title: Structural Study of the Apatite Nd 8 Sr 2 Si 6 O 26 by Laue Neutron Diffraction and Single-Crystal Raman Spectroscopy
Authors: An, Tao
Orera, Alodia
Baikie, Tom
Herrin, Jason S.
Piltz, Ross O.
Slater, Peter R.
Sanjuán, María L.
White, Timothy John
Keywords: Solid electrolyte
Neodymium silicate
Single crystal
Raman spectrum
Neutron diffraction
Issue Date: 2014
Source: An, T., Orera, A., Baikie, T., Herrin, J. S., Piltz, R. O., Slater, P. R., et al. (2014). Structural Study of the Apatite Nd 8 Sr 2 Si 6 O 26 by Laue Neutron Diffraction and Single-Crystal Raman Spectroscopy . Inorganic Chemistry, 53(17), 9416-9423.
Series/Report no.: Inorganic Chemistry
Abstract: A single-crystal structure determination of Nd8Sr2Si6O26 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 Nd8Sr2Si6O26 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.
ISSN: 0020-1669
DOI: 10.1021/ic501558r
Rights: © 2014 American Chemical Society. This is the author created version of a work that has been peer reviewed and accepted for publication by Inorganic Chemistry, American Chemical Society. It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: [].
Fulltext Permission: open
Fulltext Availability: With Fulltext
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