Inorganic Solid Phases

K12[P2W18Mo6S6O74(H2O)6]·26H2O (K6W9Mo3[PO4]S3O33[H2O]16, T = 188 K) Crystal Structure

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General Information

  • Phase Label(s): K6W9Mo3[PO4]S3O33[H2O]16
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP594
  • Space Group: 31
  • Phase Prototype: K6W9Mo3[PO4]S3O33[H2O]16
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens R3m/V (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 188 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, oxide, sulfide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement, R = 0.101; wR = 0.2375
  • Sample Detail(s): sample prepared from I2, (NMe4)2Mo2O2S6, K9[PW9O34][H2O]16, KCl, chemical analysis; 7.41 wt.% K, 1.17 wt.% P, 2.85 wt.% S, 8.64 wt.% Mo, 50.40 wt.% W, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K6W9Mo3[PO4]S3O33[H2O]16
  • Alphabetic Formula: [H2O]16K6Mo3O33[PO4]S3W9
  • Published Formula: K12[P2W18Mo6S6O74(H2O)6]·26H2O
  • Refined Formula: H32K4.25Mo3O53PS3W9
  • Wyckoff Sequence: 31,b140a17
  • Z Formula Units: 8
  • Density: ρ = 3.63 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_1904522

  • 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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