Inorganic Solid Phases

K20[(H2AsW9O33)4(Mo3S4Pd(H2O)5)2]·56H2O (H4K10W18Mo3Pd[AsO3]2S4O60[H2O]33) Crystal Structure

General Information

  • Phase Label(s): H4K10W18Mo3Pd[AsO3]2S4O60[H2O]33
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP254
  • Space Group: 2
  • Phase Prototype: H4K10W18Mo3Pd[AsO3]2S4O60[H2O]33
  • Measurement Detail(s): automatic diffractometer; 9407 (determination of cell parameters), automatic diffractometer; Bruker AXS X8 SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296(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; 1108 variables; 21970 reflections; I > 2σ(I), R = 0.0815; wR = 0.2077
  • Sample Detail(s): sample prepared from (Mo3S4PdCl[H2O]9)Cl3, HCl, Na9[AsW9O33][H2O]12, KOH, KCl, chemical analysis; 54.76 wt.% W, 4.82 wt.% Mo, 2.63 wt.% As, 6.14 wt.% K, 2.33 wt.% S, 1.72 wt.% Pd, 0.92 wt.% H, single crystal (determination of cell parameters), single crystal, 0.08×0.12×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H4K10W18Mo3Pd[AsO3]2S4O60[H2O]33
  • Alphabetic Formula: [AsO3]2H4[H2O]33K10Mo3O60PdS4W18
  • Published Formula: K20[(H2AsW9O33)4(Mo3S4Pd(H2O)5)2]·56H2O
  • Refined Formula: As2H36K5Mo3O89PdS4W18
  • Wyckoff Sequence: 2,i127
  • Z Formula Units: 2
  • Density: ρ = 3.68 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_1021513

  • 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