Inorganic Solid Phases

(Mg0.10Fe0.65Ti0.25)(Mg0.11Fe0.31Ti0.58)O3 (Mg0.5TiFe0.5O3) Crystal Structure

General Information

  • Phase Label(s): Mg0.5TiFe0.5O3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): ilmenite
  • Pearson Symbol: hR30
  • Space Group: 148
  • Phase Prototype: TiFeO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 360 reflections; I > 1.96σ(I), R = 0.067
  • Sample Detail(s): ilmenite sample from Russia, Sakha (Yakutia), Mir mine, electron microprobe analysis; 62.5 wt.% FeTiO3, 20.8 wt.% MgTiO3, 16.7 wt.% Fe2O3, single crystal (determination of cell parameters), single crystal, 0.125 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.21Ti0.83Fe0.96O3
  • Alphabetic Formula: Fe0.96Mg0.21O3Ti0.83
  • Published Formula: (Mg0.10Fe0.65Ti0.25)(Mg0.11Fe0.31Ti0.58)O3
  • Refined Formula: Fe0.96Mg0.21O3Ti0.83
  • Wyckoff Sequence: 148,fc2
  • Z Formula Units: 6
  • Density: ρ = 4.71 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_1812666

  • 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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