Crystal structure of R10Mo6O33 (R = Nd, Pr) from 3 K to 973 K by neutron powder diffraction

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Date
2016-05-01
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Elsevier
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.
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Keywords
Rare earths, Molybdenum, Oxides, Neutron diffraction, Fluorite, Crystal structure, Oxygen, Coulomb field
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
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https://doi.org/10.1016/j.ssi.2015.12.005
 https://apo.ansto.gov.au/dspace/handle/10238/10524
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