Inorganic Solid Phases

K4Na2H3[Na2K(H2O)2{Cu(H2O)}3(α-SbW9O33)2]·15H2O (H3K5Na4Cu3W18Sb2O66[H2O]20) Crystal Structure

General Information

  • Phase Label(s): H3K5Na4Cu3W18Sb2O66[H2O]20
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP500
  • Space Group: 62
  • Phase Prototype: H3K5Na4Cu3W18Sb2O66[H2O]20
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS IV (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, block-diagonal least-squares refinement on F2; 601 variables; 6207 reflections; I > 2σ(I), R = 0.0755; wR = 0.1953
  • Sample Detail(s): sample prepared from [NH4]18[NaSb9W21O86][H2O]24, KCl, CuCl2[H2O]2, chemical analysis; 3.63 wt.% K, 1.71 wt.% Na, 3.44 wt.% Cu, 4.51 wt.% Sb, 60.54 wt.% W, single crystal (determination of cell parameters), single crystal, 0.08×0.10×0.14 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H3K5Na4Cu3W18Sb2O66[H2O]20
  • Alphabetic Formula: Cu3H3[H2O]20K5Na4O66Sb2W18
  • Published Formula: K4Na2H3[Na2K(H2O)2{Cu(H2O)}3(α-SbW9O33)2]·15H2O
  • Refined Formula: Cu3H40K5Na4O86Sb2W18
  • Wyckoff Sequence: 62,d50c24a
  • Z Formula Units: 4
  • Density: ρ = 4.15 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_1222528

  • 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