Inorganic Solid Phases

K14[Zr6O2(OH)4(H2O)3(β-SiW10O37)3]·28.5H2O (K14Zr6W30[SiO4]3O101[OH]4[H2O]31.5, T = 173 K) Crystal Structure

General Information

  • Phase Label(s): K14Zr6W30[SiO4]3O101[OH]4[H2O]31.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP410
  • Space Group: 2
  • Phase Prototype: K14Zr6W30[SiO4]3O101[OH]4[H2O]31.5
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays (determination of cell and structural parameters), T = 173 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 19576 reflections; F > 4σ(F), R = 0.125
  • Sample Detail(s): sample prepared from CH3COOH/CH3COOK buffer, pH= 4.8, KCl, ZrCl4, K8[γ-SiW10O36], chemical analysis, spectroscopy; 5.8 wt.% K, 6.2 wt.% Zr, 59.3 wt.% W, 1.1 wt.% Si, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K14Zr6W30[SiO4]3O101[OH]4[H2O]31.5
  • Alphabetic Formula: [H2O]31.5K14O101[OH]4[SiO4]3W30Zr6
  • Published Formula: K14[Zr6O2(OH)4(H2O)3(β-SiW10O37)3]·28.5H2O
  • Refined Formula: H57K10O148.50Si3W30Zr6
  • Wyckoff Sequence: 2,i205
  • Z Formula Units: 2
  • Density: ρ = 4.03 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_1212565

  • 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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