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

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

doi:10.1154/1.1498279

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

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

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67 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 language	English (US)
Pages (from-to)	218-221
Number of pages	4
Journal	Powder Diffraction
Volume	17
Issue number	3
DOIs	https://doi.org/10.1154/1.1498279
State	Published - Sep 2002

All Science Journal Classification (ASJC) codes

Radiation
General Materials Science
Instrumentation
Condensed Matter Physics

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

abstract = "Rietveld refinement using synchrotron powder X-ray diffraction data revealed that the crystal structure of synthetic Na-birnessite is triclinic (C{\=1}), 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.",

author = "Post, {Jeffrey E.} and Heaney, {Peter J.} and Jonathan Hanson",

year = "2002",

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doi = "10.1154/1.1498279",

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pages = "218--221",

journal = "Powder Diffraction",

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T1 - Rietveld refinement of a triclinic structure for synthetic Na-birnessite using synchrotron powder diffraction data

AU - Post, Jeffrey E.

AU - Heaney, Peter J.

AU - Hanson, Jonathan

PY - 2002/9

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N2 - 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.

AB - 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.

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JF - Powder Diffraction

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ER -

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

Abstract

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