Inorganic Solid Phases

InTi0.75Fe0.25O3.375; In0.975Ti0.75Fe0.275O3.36 (Ti0.75Fe0.25InO3.375) Crystal Structure

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General Information

  • Phase Label(s): Ti0.75Fe0.25InO3.375
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS12
  • Space Group: 12
  • Phase Prototype: (Ti0.75Fe0.25)InO3.375
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Rigaku AFC7R (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 296 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, full-matrix least-squares refinement on F2; 722 reflections, R = 0.0295; wR = 0.0528
  • Sample Detail(s): sample prepared from In2O3, TiO2 rutile, Fe2O3 (hematite), single crystal (determination of cell parameters), single crystal, 0.050×0.070×0.150 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ti0.75Fe0.25InO3.375
  • Alphabetic Formula: Fe0.25InO3.375Ti0.75
  • Published Formula: InTi0.75Fe0.25O3.375; In0.975Ti0.75Fe0.275O3.36
  • Refined Formula: Fe0.28In0.98O3.36Ti0.75
  • Wyckoff Sequence: 12,i2da
  • Z Formula Units: 2
  • Density: ρ = 5.90 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

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_1414059

  • 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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