Inorganic Solid Phases

Cs3K3.5H0.5[SiW9(TaO2)3O37]·9H2O (H0.5Cs3K3.5Ta3W9[SiO4]O33[O2]3[H2O]9) Crystal Structure

General Information

  • Phase Label(s): H0.5Cs3K3.5Ta3W9[SiO4]O33[O2]3[H2O]9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR510
  • Space Group: 166
  • Phase Prototype: H0.5Cs3K3.5Ta3W9[SiO4]O33[O2]3[H2O]9
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): peroxide, orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 151 variables; 1505 reflections; I > 2σ(I), R = 0.0458; wR = 0.1213
  • Sample Detail(s): sample prepared from K8[Ta6O19][H2O]17, H2O2, HCl, A-α-Na10[SiW9O34][H2O]18, chemical analysis; 0.82 wt.% Si, 3.90 wt.% K, 11.25 wt.% Cs, 14.78 wt.% Ta, 45.43 wt.% W, single crystal (determination of cell parameters), single crystal, 0.18×0.24×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.5Cs3K3.5Ta3W9[SiO4]O33[O2]3[H2O]9
  • Alphabetic Formula: Cs3H0.5[H2O]9K3.5O33[O2]3[SiO4]Ta3W9
  • Published Formula: Cs3K3.5H0.5[SiW9(TaO2)3O37]·9H2O
  • Refined Formula: Cs3H7.50K3.50O46.75SiTa3W9
  • Wyckoff Sequence: 166,i8h10fec2a
  • Z Formula Units: 6
  • Density: ρ = 4.54 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_1935842

  • 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

    Citation copied