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

Jeffrey E. Post, Peter J. Heaney, Jonathan Hanson

Research output: Contribution to journalArticlepeer-review

51 Scopus citations

Abstract

Rietveld refinement using synchrotron powder X-ray diffraction data revealed that the crystal structure of synthetic Na-birnessite is triclinic (C1̄), 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.

Original languageEnglish (US)
Pages (from-to)218-221
Number of pages4
JournalPowder Diffraction
Volume17
Issue number3
DOIs
StatePublished - Sep 1 2002

All Science Journal Classification (ASJC) codes

  • Radiation
  • Materials Science(all)
  • Instrumentation
  • Condensed Matter Physics

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