Inorganic Solid Phases

Ba1.20Al2.39Ti5.60O16 (Ba0.6Ti2.8Al1.2O8) Crystal Structure

General Information

  • Phase Label(s): Ba0.6Ti2.8Al1.2O8
  • Structure Class(es):
  • Classification by Properties: ionic conductor
  • Mineral Name(s):
  • Pearson Symbol: tI28
  • Space Group: 87
  • Phase Prototype: Ba(Ti0.67Al0.33)4O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker-Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): average structure determined; refinement in superspace, least-squares refinement on F2; 36 variables; 1214 reflections; I > 2σ(I), R = 0.0441; wR = 0.1792
  • Sample Detail(s): hollandite sample from synthetic, sample prepared from BaF2, BaCO3, Al2O3, TiO2 rutile, electron microprobe analysis; Ba1.15Al2.39Ti5.60O16, single crystal (determination of cell parameters), single crystal, 0.13×0.13×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba0.6Ti2.8Al1.2O8
  • Alphabetic Formula: Al1.2Ba0.6O8Ti2.8
  • Published Formula: Ba1.20Al2.39Ti5.60O16
  • Refined Formula: Al1.20Ba0.60O8Ti2.80
  • Wyckoff Sequence: 87,h3ea
  • Z Formula Units: 2
  • Density: ρ = 4.30 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1216791

  • 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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