Inorganic Solid Phases

K16[Ag(H2As2W9O34)(H2AsW9O33){Mo3S4(H2O)5}]2·48H2O (H8K16Ag2W36Mo6As6S8O134[H2O]58) Crystal Structure

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General Information

  • Phase Label(s): H8K16Ag2W36Mo6As6S8O134[H2O]58
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: aP274
  • Space Group: 2
  • Phase Prototype: HK8AgW18Mo3[AsO3]3S4O55[OH]3[H2O]29
  • Measurement Detail(s): automatic diffractometer; 9823 (determination of cell parameters), automatic diffractometer; Bruker AXS X8 SMART 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): oxide, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 1180 variables; 22791 reflections; I > 2σ(I), R = 0.0617; wR = 0.1556
  • Sample Detail(s): sample prepared from Na9AsW9O33[H2O]12, (Mo3S4[H2O]9)4+, NaAsO2, KCl, KNO3, AgNO3, chemical analysis; 54.48 wt.% W, 1.84 wt.% Ag, 4.84 wt.% Mo, 3.82 wt.% As, 5.5 wt.% K, 2.22 wt.% S, single crystal (determination of cell parameters), single crystal, 0.06×0.12×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HK8AgW18Mo3[AsO3]3S4O55[OH]3[H2O]29
  • Alphabetic Formula: Ag[AsO3]3H[H2O]29K8Mo3O55[OH]3S4W18
  • Published Formula: K16[Ag(H2As2W9O34)(H2AsW9O33){Mo3S4(H2O)5}]2·48H2O
  • Refined Formula: AgAs3H43K5Mo3O86.50S4W18
  • Wyckoff Sequence: 2,i137
  • Z Formula Units: 2
  • Density: ρ = 3.61 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_1124514

  • 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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