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Title: Crystal structure of R10Mo6O33 (R = Nd, Pr) from 3 K to 973 K by neutron powder diffraction
Authors: Ishikawa, Y
Danilkin, SA
Avdeev, M
Voronkova, VI
Sakuma, T
Keywords: Rare earths
Neutron diffraction
Crystal structure
Coulomb field
Issue Date: 1-May-2016
Publisher: Elsevier
Citation: Ishikawa, Y., Danilkin, S. A., Avdeev, M., Voronkova, V. I., & Sakuma, T. (2016). Crystal structure of R10Mo6O33 (R = Nd, Pr) from 3 K to 973 K by neutron powder diffraction. Paper presented at Proceedings of the 20th International Conference on Solid State Ionics SSI-20. In Solid State Ionics, 288, 303-306. doi:10.1016/j.ssi.2015.12.005
Abstract: Oxygen ionic conductors, R10Mo6O33 (R = Nd, Pr), were investigated by neutron powder diffraction in the wide temperature range from 3 K to 973 K. The Rietveld analyses and peak profile examination confirmed that there are no structural phase transitions in whole temperature range, keeping a cubic structure. The nuclear density distribution calculated by maximum entropy method and the Bond Valence Sum mapping analysis shows that a possible diffusion pathway connects the neighboring 48i oxygen ions at general positions. These results are consistent with the previous results of a one-particle Coulomb potential calculation and electric conductivity measurements. © 2015 Elsevier B.V.
ISSN: 0167-2738
Appears in Collections:Conference Publications

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