Inorganic Solid Phases

(Cs0.41)Na0.14K0.05Pb2+2.01Ca0.26[W6+10.87Fe3+3.13O35.75(OH)6.25](O(H2O)3) (Cs0.20K0.03Na0.07Ca0.13W5.435Fe1.565PbO18.375[OH]3.125[H2O]1.5) Crystal Structure

General Information

  • Phase Label(s): Cs0.20K0.03Na0.07Ca0.13W5.435Fe1.565PbO18.375[OH]3.125[H2O]1.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): phyllotungstite
  • Pearson Symbol: oS140
  • Space Group: 63
  • Phase Prototype: Cs0.20K0.03Na0.07Ca0.13(W0.92Fe0.08)6PbO18.375[OH]3.125[H2O]1.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Australia, Clayton, Australian Synchrotron, 3-ID-1, MX2 (determination of structural parameters), X-rays, synchrotron; λ = 0.07100 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 36 variables; 471 reflections; I > 3σ(I), R = 0.067; wR = 0.109
  • Sample Detail(s): phyllotungstite sample from Germany, Baden-Württemberg, Black Forest, Clara mine, electron microprobe analysis; (Cs0.41)Na0.14K0.05Pb2+2.01Ca0.26(W6+10.87Fe3+3.13O35.75[OH]6.25)(O[H2O]3), single crystal (determination of cell parameters), single crystal, 0.003×0.02×0.05 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs0.20K0.03Na0.07Ca0.13W5.435Fe1.565PbO18.375[OH]3.125[H2O]1.5
  • Alphabetic Formula: Ca0.13Cs0.20Fe1.565[H2O]1.5K0.03Na0.07O18.375[OH]3.125PbW5.435
  • Published Formula: (Cs0.41)Na0.14K0.05Pb2+2.01Ca0.26[W6+10.87Fe3+3.13O35.75(OH)6.25](O(H2O)3)
  • Refined Formula: Cs0.22Fe1.47H3O23Pb1.12W5.53
  • Wyckoff Sequence: 194,k4hgf2ca
  • Z Formula Units: 2
  • Density: ρ = 6.26 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_1230416

  • 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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