Inorganic Solid Phases

[SiV3W9O40H1]K5.16(OH3)0.84, 6.06H2O; K7[SiV3W9O40]·12H2O (HK5.16[H3O]0.84V3W9[SiO4]O36[H2O]6.06) Crystal Structure

General Information

  • Phase Label(s): HK5.16[H3O]0.84V3W9[SiO4]O36[H2O]6.06
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF640
  • Space Group: 225
  • Phase Prototype: HK3(K0.72[H3O]0.28)3V3W9[SiO4]O36[H2O]6.1
  • Measurement Detail(s): automatic diffractometer (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)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 47 variables; I > 3σ(I), R = 0.0448; wR = 0.0788
  • Sample Detail(s): sample prepared from Na7H3[α-SiW9O34], NaVO3, HCl, KCl, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: HK5.16[H3O]0.84V3W9[SiO4]O36[H2O]6.06
  • Alphabetic Formula: H[H2O]6.06[H3O]0.84K5.16O36[SiO4]V3W9
  • Published Formula: [SiV3W9O40H1]K5.16(OH3)0.84, 6.06H2O; K7[SiV3W9O40]·12H2O
  • Refined Formula: H14.64K5.16O46.90SiV3W9
  • Wyckoff Sequence: 225,k5hfe2dc
  • Z Formula Units: 8
  • Density: ρ = 3.88 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_1641214

  • 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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