Inorganic Solid Phases

K3Na5[{SiCu2W9O34(H2O)}2]·26H2O (H4K3Na5Cu4W18[SiO4]2O60[H2O]28, T = 203 K) Crystal Structure

General Information

  • Phase Label(s): H4K3Na5Cu4W18[SiO4]2O60[H2O]28
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP145
  • Space Group: 2
  • Phase Prototype: H4K3Na5Cu4W18[SiO4]2O60[H2O]28
  • Measurement Detail(s): automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 203 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 6982 reflections; I > 2σ(I), R = 0.057; wR = 0.129
  • Sample Detail(s): sample prepared from K8[γ-Si8W10O36], CuCl2[H2O]6, KCl, chemical analysis; 3.07 wt.% K, 3.38 wt.% Na, 60.25 wt.% W, 4.60 wt.% Cu, 0.62 wt.% Si, single crystal, 0.06×0.10×0.38 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H4K3Na5Cu4W18[SiO4]2O60[H2O]28
  • Alphabetic Formula: Cu4H4[H2O]28K3Na5O60[SiO4]2W18
  • Published Formula: K3Na5[{SiCu2W9O34(H2O)}2]·26H2O
  • Refined Formula: Cu4H56K3Na5O96Si2W18
  • Wyckoff Sequence: 2,i72a
  • Z Formula Units: 1
  • Density: ρ = 4.36 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_1904821

  • 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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