Inorganic Solid Phases

{K7Na[Cu4K2(H2O)6(α-AsW9O33)2]·5.5H2O}n (K9NaCu4W18[AsO4]2O58[H2O]11.5, T = 173 K) Crystal Structure

General Information

  • Phase Label(s): K9NaCu4W18[AsO4]2O58[H2O]11.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP240
  • Space Group: 113
  • Phase Prototype: K9NaCu4W18[AsO4]2O58[H2O]11.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 173 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; I > 2σ(I), R = 0.046; wR = 0.107
  • Sample Detail(s): sample prepared from [α-AsW9O33]9−, CuCl2[H2O]2, single crystal (determination of cell parameters), single crystal, 0.04×0.08×0.10 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K9NaCu4W18[AsO4]2O58[H2O]11.5
  • Alphabetic Formula: [AsO4]2Cu4[H2O]11.5K9NaO58W18
  • Published Formula: {K7Na[Cu4K2(H2O)6(α-AsW9O33)2]·5.5H2O}n
  • Refined Formula: As2Cu4H23.04K9NaO77.52W18
  • Wyckoff Sequence: 113,f21e15dc3a
  • Z Formula Units: 2
  • Density: ρ = 4.56 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1813681

  • 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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