Inorganic Solid Phases

Na11Cs2[Cu4(H2O)2(GeW9O34)2]Cl·31H2O (Cs2Na11Cu4W18Ge2ClO68[H2O]33, T = 173 K) Crystal Structure

General Information

  • Phase Label(s): Cs2Na11Cu4W18Ge2ClO68[H2O]33
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP142
  • Space Group: 2
  • Phase Prototype: CsNa5.5Cu2W9[GeO4]Cl0.5O30[H2O]16.5
  • 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 = 173 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; I > 2σ(I), R = 0.041; wR = 0.101
  • Sample Detail(s): sample prepared from Na(CH3COO), CuCl2[H2O]4, GeO2 (α-quartz), Na2WO4[H2O]2, CsCl, chemical analysis; 56.4 wt.% W, 4.5 wt.% Cu, 4.4 wt.% Na, 4.3 wt.% Cs, 2,4 wt.% Ge, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CsNa5.5Cu2W9[GeO4]Cl0.5O30[H2O]16.5
  • Alphabetic Formula: Cl0.5CsCu2[GeO4][H2O]16.5Na5.5O30W9
  • Published Formula: Na11Cs2[Cu4(H2O)2(GeW9O34)2]Cl·31H2O
  • Refined Formula: Cl0.50CsCu2GeH19Na5O50.50W9
  • Wyckoff Sequence: 2,i71
  • Z Formula Units: 2
  • Density: ρ = 4.42 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_1813178

  • 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