Inorganic Solid Phases

K0.1MnO2·0.08(H2O) (K0.3MnO2[H2O], T = 100 K) Crystal Structure

General Information

  • Phase Label(s): K0.3MnO2[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS12
  • Space Group: 12
  • Phase Prototype: Na0.15MnO2[H2O]
  • 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):
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement
  • Sample Detail(s): cryptomelane sample from synthetic, sample prepared from KMnO4, MnSO4[H2O], HNO3, small-angle neutron scattering, ultra-small-angle X-ray scattering; K0.1MnO2[H2O]0.38, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.4Mn4O8[H2O]0.32
  • Alphabetic Formula: [H2O]0.32K0.4Mn4O8
  • Published Formula: K0.1MnO2·0.08(H2O)
  • Refined Formula: H0.61K0.36Mn4O8.30
  • Wyckoff Sequence: 12,i6a
  • Z Formula Units: 2
  • Density: ρ = 4.48 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_1935886

  • 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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