Inorganic Solid Phases

K9NaH4[(β-GeW9Ti3O37)2O3]·40.5H2O (H4K9NaTi6W18[GeO4]2O69[H2O]40.5, T = 173 K) Crystal Structure

General Information

  • Phase Label(s): H4K9NaTi6W18[GeO4]2O69[H2O]40.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP632
  • Space Group: 57
  • Phase Prototype: H4K9NaTi6W18[GeO4]2O69[H2O]40.5
  • Measurement Detail(s): automatic diffractometer; 244 (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (determination of structural parameters), X-rays, Mo Kα; λ = 0.071075 nm (determination of cell and structural parameters), T = 173 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthogermanate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 412 variables; 4464 reflections; I > 2σ(I), R = 0.042; wR = 0.077
  • Sample Detail(s): sample prepared from Na8.5H1.5[GeW9O34][H2O]20, TiCl4, chemical analysis, thermogravimetry; 2.2 wt.% Ge, 54.1 wt.% W, 4.8 wt.% Ti, 5.5 wt.% K, 0.2 wt.% Na, 1.4 wt.% H; H2O content analyzed, single crystal (determination of cell parameters), single crystal, 0.05×0.15×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H4K9NaTi6W18[GeO4]2O69[H2O]40.5
  • Alphabetic Formula: [GeO4]2H4[H2O]40.5K9NaO69Ti6W18
  • Published Formula: K9NaH4[(β-GeW9Ti3O37)2O3]·40.5H2O
  • Refined Formula: Ge2K9NaO117.50Ti6W18
  • Wyckoff Sequence: 57,e65d27c
  • Z Formula Units: 4
  • Density: ρ = 3.67 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_1624427

  • 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

    Citation copied