Inorganic Solid Phases

Ba2Ti9.25Li3O22 (Li3Ba2Ti9.25O22) Crystal Structure

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General Information

  • Phase Label(s): Li3Ba2Ti9.25O22
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP80
  • Space Group: 62
  • Phase Prototype: Li3Ba2Ti9.25O22
  • Measurement Detail(s): automatic diffractometer; 12 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα1; λ = 0.070926 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1143 reflections; I > 2σ(I), R = 0.019; wR = 0.024
  • Sample Detail(s): sample prepared from BaTiO3, Li2TiO3, TiO2 rutile, electron microprobe analysis; Ba and Ti content analyzed; Ba/Ti/Li ratio 2/9/3.4; 28.6(4) wt.% BaO, 66.7(3) wt.% TiO2, 4.7 wt.% Li2O, single crystal (determination of cell parameters), single crystal, 0.2 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Li3Ba2Ti9.25O22
  • Alphabetic Formula: Ba2Li3O22Ti9.25
  • Published Formula: Ba2Ti9.25Li3O22
  • Refined Formula: Ba2Li3O22Ti9.20
  • Wyckoff Sequence: 62,d4c11a
  • Z Formula Units: 2
  • Density: ρ = 4.48 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]

Anisotropic

Site
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1713545

  • 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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