Inorganic Solid Phases

Na-birnessite or Na_0.58(Mn⁴⁺_1.42Mn³⁺_0.58)O₄·1.5H₂O (Na_0.3MnO₂[H₂O]_0.4) Crystal Structure

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General Information

Phase Label(s): Na_0.3MnO₂[H₂O]_0.4
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): birnessite
Pearson Symbol: aP5
Space Group: 2
Phase Prototype: (Na_0.25[H₂O]_0.75)MnO₂
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source NSLS, X7B (determination of structural parameters), X-rays, synchrotron; λ = 0.09492 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide, hydrate
Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, multiphase; 72 variables; 137 reflections, wR_P = 0.011
Sample Detail(s): birnessite sample from synthetic, amounts of Mn₃O₄ (5 wt.%), powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Na_0.29MnO₂[H₂O]_0.75
Alphabetic Formula: [H₂O]_0.75MnNa_0.29O₂
Published Formula: Na-birnessite or Na_0.58(Mn⁴⁺_1.42Mn³⁺_0.58)O₄·1.5H₂O
Refined Formula: H_2.34MnO_3.17
Wyckoff Sequence: 2,i²a
Z Formula Units: 1
Density: ρ = 3.38 Mg·m⁻³

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
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a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation	Co-ord. No.	Atomic Env.
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Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
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Displacement Parameters

Isotropic

Site	Published U [nm²]	Type	Computed B_eq [nm²]
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Experimental Details

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Reference

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3D Interactive Structure

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About this content

Database name

PAULING FILE Multinaries Edition – 2012

Dataset ID

sd_1925069

Copyright

©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

Chief Editor

Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

villars.mpds@bluewin.ch

Credits

SpringerMaterials Release 2016.

Project Coordinator: Shuichi Iwata

Section-Editor: Karin Cenzual (Crystal Structures)

Cite this content

Pierre Villars (Chief Editor), PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials Na-birnessite or Na0.58(Mn4+1.42Mn3+0.58)O4·1.5H2O (Na0.3MnO2[H2O]0.4) Crystal Structure sd_1925069 (Springer-Verlag GmbH, Heidelberg, © 2016)

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