Inorganic Solid Phases

CsTiSi2O6.5 (Cs8Ti8Si16O52) Crystal Structure

General Information

  • Phase Label(s): Cs8Ti8Si16O52
  • Structure Class(es): zeolite ANA
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI352
  • Space Group: 230
  • Phase Prototype: Cs8(Ti0.33Si0.67)24O52
  • 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, Rietveld refinement, RP = 0.0275; wRP = 0.0305
  • Sample Detail(s): pollucite sample from synthetic, sample prepared from tetraethylorthosilicate (TEOS), titanium orthosilicate, cesium hydroxide, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cs8Ti8Si16O52
  • Alphabetic Formula: Cs8O52Si16Ti8
  • Published Formula: CsTiSi2O6.5
  • Refined Formula: Cs8O48Si16.01Ti7.99
  • Wyckoff Sequence: 230,hgb
  • Z Formula Units: 2
  • Density: ρ = 3.41 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_1030613

  • 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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