Inorganic Solid Phases

Na0.3MnO2·0.93(H2O) (Na0.3MnO2[H2O]0.4, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): Na0.3MnO2[H2O]0.4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): birnessite
  • Pearson Symbol: aP5
  • Space Group: 2
  • Phase Prototype: (Na0.25[H2O]0.75)MnO2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, XSD-SRS, 11-BM-B beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.0412210 nm (determination of cell and structural parameters), T = 100 K (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
  • Sample Detail(s): birnessite sample from synthetic, sample prepared from NaOH, KMnO4, Mn(CH3COO)2[H2O]4, Mg(CH3COO)2[H2O]4, EDX, small-angle neutron scattering, ultra-small-angle X-ray scattering; Na0.3MnO2[H2O]0.64; trace amounts of Mg detected, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.3MnO2[H2O]0.93
  • Alphabetic Formula: [H2O]0.93MnNa0.3O2
  • Published Formula: Na0.3MnO2·0.93(H2O)
  • Refined Formula: H1.86MnNa0.30O2.93
  • Wyckoff Sequence: 2,i2a
  • Z Formula Units: 1
  • Density: ρ = 3.51 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
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.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1935887

  • 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.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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