Inorganic Solid Phases

(H3O)3[{K(H2O)}2{Na2(H2O)8}2(Na0.5H2O)2(H2W12O42)]·6H2O (H2K2Na5[H3O]3W12O42[H2O]26) Crystal Structure

General Information

  • Phase Label(s): H2K2Na5[H3O]3W12O42[H2O]26
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP95
  • Space Group: 2
  • Phase Prototype: H2K2Na5[H3O]3W12O42[H2O]26
  • Measurement Detail(s): automatic diffractometer; 4964 (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 328 variables; 4112 reflections; I > 2σ(I), R = 0.039; wR = 0.083
  • Sample Detail(s): sample prepared from Na4[W10O32], CoCl2[H2O]6, KCl, CH3OONa/CH3COOH, inductive coupled plasma method; 1.87 wt.% K, 3.5 wt.% Na, 61.65 wt.% W, single crystal (determination of cell parameters), single crystal, 0.163×0.286×0.380 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H2K2Na5[H3O]3W12O42[H2O]26
  • Alphabetic Formula: H2[H2O]26[H3O]3K2Na5O42W12
  • Published Formula: (H3O)3[{K(H2O)}2{Na2(H2O)8}2(Na0.5H2O)2(H2W12O42)]·6H2O
  • Refined Formula: H58K2Na5O71W12
  • Wyckoff Sequence: 2,i47b
  • Z Formula Units: 1
  • Density: ρ = 4.17 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_1926228

  • 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