Inorganic Solid Phases

[Li0.964Mn0.037][Li0.366Mn0.463Ti1.166]O4, [Li0.959Mn0.041][Li0.267Mn0.455Ti1.278]O4 (LiTiMnO4) Crystal Structure

General Information

  • Phase Label(s): LiTiMnO4
  • Structure Class(es): spinel family
  • Classification by Properties: intermediate valence, nonmetal, semiconductor, superconductor, superionic condu
  • Mineral Name(s):
  • Pearson Symbol: cP56
  • Space Group: 213
  • Phase Prototype: (Li0.1Fe0.9)(Li0.25Ti0.1Fe0.55)2O4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D5005 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.0466; RB = 0.0135
  • Sample Detail(s): sample prepared from Li2CO3, TiO2 rutile, MnO, amounts of Li2TiO3 (10.9 wt.%) and LiMn2O4 (6.3 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li1.226Ti1.278Mn0.496O4
  • Alphabetic Formula: Li1.226Mn0.496O4Ti1.278
  • Published Formula: [Li0.964Mn0.037][Li0.366Mn0.463Ti1.166]O4, [Li0.959Mn0.041][Li0.267Mn0.455Ti1.278]O4
  • Refined Formula: Li1.23Mn0.50O4Ti1.28
  • Wyckoff Sequence: 227,ecb
  • Z Formula Units: 8
  • Density: ρ = 3.71 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_1821835

  • 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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