Inorganic Solid Phases

H0.49Li0.71Mn3+0.36Mn4+1.37O3.88 (H0.30Li0.42Mn1.81O4, T = 10 K) Crystal Structure

General Information

  • Phase Label(s): H0.30Li0.42Mn1.81O4
  • Structure Class(es): spinel family
  • Classification by Properties: intercalation compound, nonmetal
  • Mineral Name(s):
  • Pearson Symbol: cF56
  • Space Group: 227
  • Phase Prototype: MgAl2O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Sweden, Studsvik Neutron Research Laboratory, R2 reactor, NPD (determination of structural parameters), neutrons; λ = 0.121 nm (determination of cell and structural parameters), T = 10 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 18 variables; 70 reflections, RP = 0.0323; wRP = 0.0405; RB = 0.0894
  • Sample Detail(s): sample prepared from MnO2, LiI, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H0.49Li0.71Mn1.73O3.88
  • Alphabetic Formula: H0.49Li0.71Mn1.73O3.88
  • Published Formula: H0.49Li0.71Mn3+0.36Mn4+1.37O3.88
  • Refined Formula: H0.54Li0.73Mn1.78O4
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 3.92 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_1414185

  • 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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