Inorganic Solid Phases

CsTixAl1−xSi2O6+0.5x, x= 0.4 (Cs8Ti3.2Al4.8Si16O49.6 rt) Crystal Structure

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General Information

  • Phase Label(s): Cs8Ti3.2Al4.8Si16O49.6 rt
  • Structure Class(es): zeolite ANA
  • Classification by Properties: –
  • Mineral Name(s): pollucite
  • 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. New York, Brookhaven National Laboratory, National Synchrotron Light Source NSLS, X7A (determination of structural parameters), X-rays, synchrotron; λ = 0.07076 nm (determination of cell and structural parameters), T = 298 K (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 = 0.0275; wRP = 0.0308
  • Sample Detail(s): pollucite sample from synthetic, sample prepared from tetraethylorthosilicate (TEOS), aluminum tri-sec-butoxide, titanium orthosilicate, cesium hydroxide, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cs8Ti3.2Al4.8Si16O49.6
  • Alphabetic Formula: Al4.8Cs8O49.6Si16Ti3.2
  • Published Formula: CsTixAl1−xSi2O6+0.5x, x= 0.4
  • Refined Formula: Al4.80Cs8O48Si16.01Ti3.19
  • Wyckoff Sequence: 230,hgb
  • Z Formula Units: 2
  • Density: ρ = 3.32 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
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_1030608

  • 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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