Inorganic Solid Phases

H13[(α2-P2W17TiO61)(α2-P2W17TiO61H)(μ-O)]·55H2O (H14Ti2W34[PO4]4O107[H2O]55, T = 90 K) Crystal Structure

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General Information

  • Phase Label(s): H14Ti2W34[PO4]4O107[H2O]55
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: aP426
  • Space Group: 2
  • Phase Prototype: H14Ti2W34[PO4]4O107[H2O]55
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS P4 SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 90 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1918 variables; 36786 reflections; I > 2σ(I), R = 0.0445; wR = 0.1200
  • Sample Detail(s): sample prepared from K14P4Ti2W34O123[H2O]17, chemical analysis, thermogravimetry; 0.46 wt.% H, 25.3 wt.% O, 1.37 wt.% P, 0.02 wt.% K, 1.11 wt.% Ti, 71.3 wt.% W; H2O content analyzed, single crystal (determination of cell parameters), single crystal, 0.02×0.05×0.12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H14Ti2W34[PO4]4O107[H2O]55
  • Alphabetic Formula: H14[H2O]55O107[PO4]4Ti2W34
  • Published Formula: H13[(α2-P2W17TiO61)(α2-P2W17TiO61H)(μ-O)]·55H2O
  • Refined Formula: H100O173P4Ti2W34
  • Wyckoff Sequence: 2,i213
  • Z Formula Units: 2
  • Density: ρ = 4.23 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_1627613

  • 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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