Inorganic Solid Phases

Li(4−x)/3Ti(2−2x)/3FexO2, x= 0.18 (Li0.5Ti0.25Fe0.25O) Crystal Structure

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General Information

  • Phase Label(s): Li0.5Ti0.25Fe0.25O
  • Structure Class(es): rocksalt family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF8
  • Space Group: 225
  • Phase Prototype: NaCl
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku Rotaflex RU-200B (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 295.7 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.1055
  • Sample Detail(s): sample prepared from Li1.2Ti0.4Fe0.4O2, LiOH, H2O, inductive coupled plasma method, XANES; Li, Ti, Fe, K content analyzed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Li0.637Ti0.273Fe0.09O
  • Alphabetic Formula: Fe0.09Li0.637OTi0.273
  • Published Formula: Li(4−x)/3Ti(2−2x)/3FexO2, x= 0.18
  • Refined Formula: Fe0.09Li0.66OTi0.25
  • Wyckoff Sequence: 225,ba
  • Z Formula Units: 4
  • Density: ρ = 3.60 Mg·m−3
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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_1201123

  • 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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