Inorganic Solid Phases

K14{K[(Ge(OH)O3)(GeW9Ti3O38H2)3]}·42H2O (H6K15Ti9W27[GeO4]4O101[OH][H2O]42) Crystal Structure

General Information

  • Phase Label(s): H6K15Ti9W27[GeO4]4O101[OH][H2O]42
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR585
  • Space Group: 160
  • Phase Prototype: H6K15Ti9W27[GeO4]4O101[OH][H2O]42
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell parameters), T = 273(2) K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthogermanate, hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; absolute structure determined, full-matrix least-squares refinement; 292 variables; 3931 reflections; I > 2σ(I), R = 0.0529; wR = 0.1272
  • Sample Detail(s): sample prepared from TiOSO4, KCl, K8[γ-GeW10O36][H2O]6, KOH, GeO2 (α-quartz), chemical analysis; 55.13 wt.% W, 3.19 wt.% Ge, 4.66 wt.% Ti, 6.69 wt.% K, single crystal (determination of cell parameters), single crystal, 0.13×0.14×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H6K15Ti9W27[GeO4]4O101[OH][H2O]42
  • Alphabetic Formula: [GeO4]4H6[H2O]42K15O101[OH]Ti9W27
  • Published Formula: K14{K[(Ge(OH)O3)(GeW9Ti3O38H2)3]}·42H2O
  • Refined Formula: Ge4H27K10O136Ti9W27
  • Wyckoff Sequence: 160,c23b18a3
  • Z Formula Units: 3
  • Density: ρ = 3.58 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_1124603

  • 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