Inorganic Solid Phases

K9Na2Cu0.5[γ-Cu2(H2O)SiW8O31]2·38H2O (K9Na2Cu4.5W16[SiO4]2O54[H2O]40, T = 173 K) Crystal Structure

General Information

  • Phase Label(s): K9Na2Cu4.5W16[SiO4]2O54[H2O]40
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP220
  • Space Group: 14
  • Phase Prototype: K9Na2Cu4.5W16[SiO4]2O54[H2O]40
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 173 K (determination of cell and 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; 286 variables; 7283 reflections; I > 2σ(I), R = 0.0341; wR = 0.0482
  • Sample Detail(s): sample prepared from CuBr2, K8[γ-SiW10O36][H2O]12, sodium acetate/acetic acid, ethylene glycol, chemical analysis; 5.07 wt.% Cu, 6.27 wt.% K, 0.81 wt.% Na, 0.97 wt.% Si, 53.90 wt.% W, single crystal (determination of cell parameters), single crystal, 0.06×0.10×0.47 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K9Na2Cu4.5W16[SiO4]2O54[H2O]40
  • Alphabetic Formula: Cu4.5[H2O]40K9Na2O54[SiO4]2W16
  • Published Formula: K9Na2Cu0.5[γ-Cu2(H2O)SiW8O31]2·38H2O
  • Refined Formula: Cu4H34K4O81Si2W16
  • Wyckoff Sequence: 14,e55
  • Z Formula Units: 2
  • Density: ρ = 4.63 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_1626759

  • 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