Inorganic Solid Phases

Ga1.446In3Ti1.554O9.777 (Ti0.52Ga0.48InO3.26, T = 300 K) Crystal Structure

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General Information

  • Phase Label(s): Ti0.52Ga0.48InO3.26
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oS24
  • Space Group: 63
  • Phase Prototype: (Ti0.67Fe0.33)InO3.33
  • Measurement Detail(s): automatic diffractometer; U.S.A. Tennessee, Oak Ridge National Laboratory ORNL, SNS, BL-11A, POWGEN (determination of structural parameters), neutrons, time-of-flight; λ = 0.1066 nm (determination of structural parameters), T = 300 K (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; refinement in superspace, Rietveld refinement; 820 reflections, R = 0.0296; wR = 0.0401; RP = 0.0747; wRP = 0.0516
  • Sample Detail(s): sample prepared from Ga2O3, In2O3, TiO2, amounts of β-Ga2O3, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Ti0.52Ga0.48InO3.26
  • Alphabetic Formula: Ga0.48InO3.26Ti0.52
  • Published Formula: Ga1.446In3Ti1.554O9.777
  • Refined Formula: Ga0.48InO3.26Ti0.52
  • Wyckoff Sequence: 63,fc3a
  • Z Formula Units: 4
  • Density: ρ = 6.27 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1530848

  • 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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