Inorganic Solid Phases

Ba1.2−xCsxAl2.4−xTi5.6+xO16 or Ba0.95Cs0.25Al2.15Ti5.85O16 (Cs0.2Ba0.4Ti3AlO8) Crystal Structure

General Information

  • Phase Label(s): Cs0.2Ba0.4Ti3AlO8
  • 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 parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, POLARIS (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, wRP = 0.0336
  • Sample Detail(s): hollandite sample from synthetic, sample prepared from Ba(CH3COO)2, CsNO3, Al[NO3]3[H2O]9, Ti[OCH(CH3)2]4, electron microprobe analysis; Ba0.922(162)Cs0.304(45)Al1.753(79)Ti6.226(77)O16, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cs0.125Ba0.475Ti2.925Al1.075O8
  • Alphabetic Formula: Al1.075Ba0.475Cs0.125O8Ti2.925
  • Published Formula: Ba1.2−xCsxAl2.4−xTi5.6+xO16 or Ba0.95Cs0.25Al2.15Ti5.85O16
  • Refined Formula: Al1.02Ba0.46Cs0.15O8Ti2.98
  • Wyckoff Sequence: 87,h3e
  • 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1624360

  • 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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