Inorganic Solid Phases

K12[Sb2W18{Cu(H2O)}3O66]·41[H2O] (K12Cu3W18Sb2O66[H2O]44) Crystal Structure

General Information

  • Phase Label(s): K12Cu3W18Sb2O66[H2O]44
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP500
  • Space Group: 62
  • Phase Prototype: K12Cu3W18Sb2O66[H2O]44
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (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): oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; I > 2σ(I), R = 0.0525; wR = 0.1370
  • Sample Detail(s): sample prepared from Na9[AsW9O33][H2O]19.5, CuNO3[H2O]3, KCl, chemical analysis, thermogravimetry; K7.70W54.58Sb4.12Cu3.33, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K12Cu3W18Sb2O66[H2O]44
  • Alphabetic Formula: Cu3[H2O]44K12O66Sb2W18
  • Published Formula: K12[Sb2W18{Cu(H2O)}3O66]·41[H2O]
  • Refined Formula: Cu3H48K12O90Sb2W18
  • Wyckoff Sequence: 62,d50c24a
  • Z Formula Units: 4
  • Density: ρ = 4.64 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_1110941

  • 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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