Inorganic Solid Phases

Cs0.9Ba0.05TiSi2O6.5; CsxBa(1−x)/2TiSi2O6.5, x= 0.9 (Cs5.6Ba1.2Ti8Si16O52) Crystal Structure

General Information

  • Phase Label(s): Cs5.6Ba1.2Ti8Si16O52
  • Structure Class(es): zeolite ANA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI160
  • Space Group: 230
  • Phase Prototype: Cs8(Al0.33Si0.67)24O48
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, XSD-SRS, 11-BM-B beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.0413915 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.049; wRP = 0.061
  • Sample Detail(s): sample prepared from CH3COOCs, (CH3COO)2Ba, Ti n-butoxide, tetraethyl orthosilicate, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cs7.2Ba0.4Ti8Si16O52
  • Alphabetic Formula: Ba0.4Cs7.2O52Si16Ti8
  • Published Formula: Cs0.9Ba0.05TiSi2O6.5; CsxBa(1−x)/2TiSi2O6.5, x= 0.9
  • Refined Formula: Ba0.40Cs7.20O51.98Si16.01Ti7.99
  • Wyckoff Sequence: 230,h3gb
  • Z Formula Units: 2
  • Density: ρ = 3.35 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_1644165

  • 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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