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Rietveld refinement of the rancieite structure using synchrotron powder diffraction data

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Complete Citation

  • Post, Jeffrey E., Heaney, Peter J., and Ertl, A. 2008. "Rietveld refinement of the rancieite structure using synchrotron powder diffraction data." Powder Diffraction, 23, (1) 10–14. https://doi.org/10.1154/1.2836477.

Overview

Abstract

  • Rietveld refinement using synchrotron powder X-ray diffraction data of the rancieite, Ca0.19K0.01(Mn4 (square)(0.91)(0.09))O-2 center dot 0.63H(2)O, crystal structure reveals significant differences from that reported previously. The interlayer H2O molecules occupy sites halfway between the Mn,O octahedral sheets. The Mn sites in the octahedral sheets have 10% vacancies, and the mean Mn-O distance indicates that all Mn is tetravalent (Mn4 ). The interlayer Ca cations are located above and below the Mn vacancies and are octahedrally coordinated to three O-2 atoms in the octahedral sheet and three H2O molecules in the interlayer. (c) 2008 International Centre for Diffraction Data.

Publication Date

  • 2008

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