Inorganic Solid Phases

α2-Ti3Al(O) (Ti3AlO0.31 rt) Crystal Structure

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General Information

  • Phase Label(s): Ti3AlO0.31 rt
  • Structure Class(es): perovskite
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP10
  • Space Group: 194
  • Phase Prototype: BaNiO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Maryland, Gaithersburg, NIST Center for Neutron Research, NBSR, BT-1 (determination of structural parameters), neutrons; λ = 0.1590 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement
  • Sample Detail(s): sample prepared from Ti, Al, TiO2 rutile, chemical analysis, gas fusion, inductive coupled plasma method; Al27.99O7.71Ti64.26, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ti3AlO0.31
  • Alphabetic Formula: AlO0.31Ti3
  • Published Formula: α2-Ti3Al(O)
  • Refined Formula: Al1.24O0.36Ti2.76
  • Wyckoff Sequence: 194,hda
  • Z Formula Units: 2
  • Density: ρ = 4.30 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_1620941

  • 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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