Inorganic Solid Phases

K0.432Ba0.835Al2.102Ti5.898O16 (K0.952Ba0.440Ti6.166Al1.834O16) Crystal Structure

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General Information

  • Phase Label(s): K0.952Ba0.440Ti6.166Al1.834O16
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: tI28
  • Space Group: 87
  • Phase Prototype: Ba(Ti0.67Al0.33)4O8
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), neutrons; λ = 0.1377 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.063; RB = 0.012
  • Sample Detail(s): sample prepared from TiO2 rutile, Al2O3, BaCO3, K2CO3, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.316Ba0.418Ti2.949Al1.051O8
  • Alphabetic Formula: Al1.051Ba0.418K0.316O8Ti2.949
  • Published Formula: K0.432Ba0.835Al2.102Ti5.898O16
  • Refined Formula: Al1.05Ba0.42K0.22O8Ti2.95
  • Wyckoff Sequence: 87,h3e
  • Z Formula Units: 2
  • Density: ρ = 4.18 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1003119

  • 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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