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

Published online by Cambridge University Press:  05 March 2012

Jeffrey E. Post,
Peter J. Heaney and
Jonathan Hanson
Jeffrey E. Post
Affiliation:
Department of Mineral Sciences, Smithsonian Institution, Washington, D.C. 20560-0119
Peter J. Heaney
Affiliation:
Department of Geosciences, 309 Deike, Pennsylvania State University, University Park, Pennsylvania 16802
Jonathan Hanson
Affiliation:
Chemistry Department, Brookhaven National Laboratory, Upton, New York 11793
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Abstract

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.

Keywords

birnessitesynchrotronRietveldmanganese oxide

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Type
Technical Articles
Information
Powder Diffraction , Volume 17 , Issue 3 , September 2002, pp. 218 - 221
Copyright
Copyright © Cambridge University Press 2002

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