Inorganic Solid Phases

FeTiNbO6 (Ti0.8Nb0.1Fe0.1O2) Crystal Structure

General Information

  • Phase Label(s): Ti0.8Nb0.1Fe0.1O2
  • Structure Class(es):
  • Classification by Properties: ferroelectric FE, intermediate valence, nonmetal, relaxor
  • Mineral Name(s): rutile
  • Pearson Symbol: tP6
  • Space Group: 136
  • Phase Prototype: TiO2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (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, RP = 0.0599; wRP = 0.0893
  • Sample Detail(s): sample prepared from Fe2O3 (hematite), TiO2, Nb2O5, X-ray photoelectron spectroscopy (XPS); Fe2+/Fe3+ratio 60/40; FeTiNbO6−d, d= 0.3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ti0.333Nb0.333Fe0.333O2
  • Alphabetic Formula: Fe0.333Nb0.333O2Ti0.333
  • Published Formula: FeTiNbO6
  • Refined Formula: Fe0.31Nb0.31O2Ti0.31
  • Wyckoff Sequence: 136,fa
  • Z Formula Units: 2
  • Density: ρ = 4.97 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_1638173

  • 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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