Inorganic Solid Phases

(Fe,Mn)x(Nb,Ta)2xTi3−3xO6 (Ti0.8Nb0.1Fe0.1O2) Crystal Structure

General Information

  • Phase Label(s): Ti0.8Nb0.1Fe0.1O2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): rutile
  • Pearson Symbol: tP6
  • Space Group: 136
  • Phase Prototype: TiO2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1729 (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, multiphase; 24 variables, RP = 0.013; wRP = 0.0189; RB = 0.0182
  • Sample Detail(s): rutile sample from Germany, Saxony, Diethensdorf, electron microprobe analysis; W0.021Nb0.520Ta0.073Ti1.928Sn0.010Sc0.023Fe3+0.236Mn0.001Fe2+0.187O6, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ti0.68Nb0.18Fe0.14O2
  • Alphabetic Formula: Fe0.14Nb0.18O2Ti0.68
  • Published Formula: (Fe,Mn)x(Nb,Ta)2xTi3−3xO6
  • Refined Formula: Nb0.29O2Ti0.71
  • Wyckoff Sequence: 136,fa
  • Z Formula Units: 2
  • Density: ρ = 4.60 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_1213037

  • 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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