Inorganic Solid Phases

Cs11K0.5Na5.5[(α-Ti3SiW9O37OH)3(TiO3(OH2)3)]·70H2O (Cs11K0.5Na5.5Ti10W27[SiO4]3O102[OH]3[H2O]73) Crystal Structure

General Information

  • Phase Label(s): Cs11K0.5Na5.5Ti10W27[SiO4]3O102[OH]3[H2O]73
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR663
  • Space Group: 160
  • Phase Prototype: Cs11K0.5Na5.5Ti10W27[SiO4]3O102[OH]3[H2O]73
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; absolute structure determined, full-matrix least-squares refinement on F2; 346 variables; 8660 reflections; I > 2σ(I), R = 0.026; wR = 0.072
  • Sample Detail(s): sample prepared from TiOSO4, K15[(K[H2O]2)Si2W18O66], CsCl, NaCl, chemical analysis, thermogravimetry; Cs11K0.5Na5.5([α-Ti3SiW9O37OH]3(TiO3[OH2]3))[H2O]70; 47.7 wt.% W, 13.7 wt.% Cs, 4.3 wt.% Ti, 1.2 wt.% Na, 0.9 wt.% Si, 0.2 wt.% K, single crystal (determination of cell parameters), single crystal, 0.04×0.08×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs11K0.5Na5.5Ti10W27[SiO4]3O102[OH]3[H2O]73
  • Alphabetic Formula: Cs11[H2O]73K0.5Na5.5O102[OH]3[SiO4]3Ti10W27
  • Published Formula: Cs11K0.5Na5.5[(α-Ti3SiW9O37OH)3(TiO3(OH2)3)]·70H2O
  • Refined Formula: Cs11.50H28.02K1.50Na1.56O134.01Si3Ti10W27
  • Wyckoff Sequence: 160,c24b25a2
  • Z Formula Units: 3
  • Density: ρ = 4.07 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1124056

  • 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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