Inorganic Solid Phases

Cs5.5Na0.5[AsW9Nb3O40]·17H2O; As2Cs11NaNb6O110W18 (Cs5.5Na0.5Nb3W9[AsO4]O36[H2O]17) Crystal Structure

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General Information

  • Phase Label(s): Cs5.5Na0.5Nb3W9[AsO4]O36[H2O]17
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF628
  • Space Group: 225
  • Phase Prototype: Cs6.5K0.5(Nb0.25W0.75)12[GeO4]O36[H2O]10
  • 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 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): arsenate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 51 variables; 559 reflections; I > 2σ(I), R = 0.0311; wR = 0.0948
  • Sample Detail(s): sample prepared from Cs5K(AsW9[NbO2]3O37)[H2O]7, NaCl, KCl, chemical analysis; 0.51 wt.% Na, 1.98 wt.% As, 7.42 wt.% Nb, 21.20 wt.% Cs, 43.95 wt.% W, single crystal (determination of cell parameters), single crystal, 0.12×0.22×0.22 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs5.5Na0.5Nb3W9[AsO4]O36[H2O]17
  • Alphabetic Formula: [AsO4]Cs5.5[H2O]17Na0.5Nb3O36W9
  • Published Formula: Cs5.5Na0.5[AsW9Nb3O40]·17H2O; As2Cs11NaNb6O110W18
  • Refined Formula: AsCs5.49H30.38Na0.50Nb3O55.19W9
  • Wyckoff Sequence: 225,k4ihf2e2dca
  • Z Formula Units: 8
  • Density: ρ = 4.04 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]

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_1633995

  • 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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