Inorganic Solid Phases

KLi35[(AsW9O33)6(Mo2O2S2)9]·196H2O (KLi35W54Mo18[AsO3]6S18O198[H2O]196) Crystal Structure

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General Information

  • Phase Label(s): KLi35W54Mo18[AsO3]6S18O198[H2O]196
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP1712
  • Space Group: 62
  • Phase Prototype: KLi35W54Mo18[AsO3]6S18O198[H2O]196
  • Measurement Detail(s): automatic diffractometer; 9052 (determination of cell parameters), automatic diffractometer; Bruker-Nonius X8 APEX II (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): arsenite, oxide, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 1933 variables; 27789 reflections; I > 2σ(I), R = 0.0551; wR = 0.1506
  • Sample Detail(s): sample prepared from Na0.83K5.16([AsW9O33][Mo2O2S2]1.5)[H2O]16, LiCl, chemical analysis; 2.24 wt.% As, 0.20 wt.% K, 8.75 wt.% Mo, 1.41 wt.% Na, 2.77 wt.% S, 49.07 wt.% W, single crystal (determination of cell parameters), single crystal, 0.04×0.08×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KLi35W54Mo18[AsO3]6S18O198[H2O]196
  • Alphabetic Formula: [AsO3]6[H2O]196KLi35Mo18O198S18W54
  • Published Formula: KLi35[(AsW9O33)6(Mo2O2S2)9]·196H2O
  • Refined Formula: As6H186Li6Mo18O309S18W54
  • Wyckoff Sequence: 62,d194c40
  • Z Formula Units: 4
  • Density: ρ = 3.52 Mg·m−3
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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_1935298

  • 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)

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