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Rietveld refinement of a triclinic structure for synthetic Na-birnessite using synchrotron powder diffraction data

  • Jeffrey E. Post (a1), Peter J. Heaney (a2) and Jonathan Hanson (a3)


Rietveld refinement using synchrotron powder X-ray diffraction data revealed that the crystal structure of synthetic Na-birnessite is triclinic (C1), not monoclinic as was previously reported. The Mn–O octahedra have elongated axial bonds, consistent with Jahn–Teller distortion resulting from partial occupancy by Mn3+. Mean Mn–O distances indicate that Mn sites are ∼2/3 Mn4+ and ∼1/3 Mn3+. The interlayer Na cations and H2O molecules occupy a split site that shows evidence of considerable disorder.



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Rietveld refinement of a triclinic structure for synthetic Na-birnessite using synchrotron powder diffraction data

  • Jeffrey E. Post (a1), Peter J. Heaney (a2) and Jonathan Hanson (a3)


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