Inorganic Solid Phases

K0.312(Mn4+0.761Mn3+0.2150.024)O2·0.42H2O, 1M (K0.296Mn0.926O2[H2O]0.40 mon) Crystal Structure

General Information

  • Phase Label(s): K0.296Mn0.926O2[H2O]0.40 mon
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS14
  • Space Group: 12
  • Phase Prototype: K0.31Mn0.98O2[H2O]0.42
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D5000 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-profile refinement, wRP = 0.0867
  • Sample Detail(s): birnessite sample from synthetic, sample prepared from KMnO4, HNO3, inductive coupled plasma method, potentiometric titration, thermogravimetry; K0.312(Mn4+0.761Mn3+0.2150.024)O2[H2O]0.42; amounts of 3R- polytype (main phase), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.312Mn0.976O2[H2O]0.42
  • Alphabetic Formula: [H2O]0.42K0.312Mn0.976O2
  • Published Formula: K0.312(Mn4+0.761Mn3+0.2150.024)O2·0.42H2O, 1M
  • Refined Formula: H0.76K0.30MnO2.38
  • Wyckoff Sequence: 12,i3d
  • Z Formula Units: 2
  • Density: ρ = 3.42 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1601362

  • 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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