Inorganic Solid Phases

NaK6[Cu6Cl(SbW9O33)2]·14H2O (K6NaCu6W18Sb2ClO66[H2O]14) Crystal Structure

General Information

  • Phase Label(s): K6NaCu6W18Sb2ClO66[H2O]14
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP238
  • Space Group: 113
  • Phase Prototype: K6NaCu6W18Sb2ClO66[H2O]14
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku Mercury (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): chloride, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 254 variables; 4171 reflections; I > 2σ(I), R = 0.0435; wR = 0.0957
  • Sample Detail(s): sample prepared from Na9[α-B-SbW9O33], CuCl2[H2O]2, Na[CH3COO]/H[CH3COO], KCl, inductive coupled plasma method; 4.3 wt.% K, 0.40 wt.% Na, 59.2 wt.% W, 6.6 wt.% Cu, 4.4 wt.% Sb, 0.65 wt.% Cl, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K6NaCu6W18Sb2ClO66[H2O]14
  • Alphabetic Formula: ClCu6[H2O]14K6NaO66Sb2W18
  • Published Formula: NaK6[Cu6Cl(SbW9O33)2]·14H2O
  • Refined Formula: ClCu6H28K6NaO80Sb2W18
  • Wyckoff Sequence: 113,f21e14dc4a
  • Z Formula Units: 2
  • Density: ρ = 4.75 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_1603548

  • 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