Inorganic Solid Phases

Li(4−x)/3Ti(5−2x)/3MnxO4, x= 0.5 (Li2Ti3MnO8) Crystal Structure

General Information

  • Phase Label(s): Li2Ti3MnO8
  • Structure Class(es): spinel family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP56
  • Space Group: 213
  • Phase Prototype: Li(Li0.5Zn0.5)2Ge3O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1A (determination of structural parameters), neutrons; λ = 0.19104 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.0316; wRP = 0.0423; RB = 0.0415
  • Sample Detail(s): sample prepared from Li2CO3, MnC15H21O6, TiO2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li2.33Ti2.67MnO8
  • Alphabetic Formula: Li2.33MnO8Ti2.67
  • Published Formula: Li(4−x)/3Ti(5−2x)/3MnxO4, x= 0.5
  • Refined Formula: Li2.34MnO8Ti2.66
  • Wyckoff Sequence: 213,edc2a
  • Z Formula Units: 4
  • 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1639513

  • 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)

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