Inorganic Solid Phases

K16Na18[H6W63Se6O221]·105H2O (K16Na18W63[SeO3]6O200[H2O]108, T = 150(2) K) Crystal Structure

General Information

  • Phase Label(s): K16Na18W63[SeO3]6O200[H2O]108
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS3332
  • Space Group: 15
  • Phase Prototype: K16Na18W63[SeO3]6O200[H2O]108
  • Measurement Detail(s): automatic diffractometer; 32379 (determination of cell parameters), automatic diffractometer; Oxford Diffraction Gemini (determination of structural parameters), X-rays, Cu Kα; λ = 0.154184 nm (determination of cell and structural parameters), T = 150(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): trioxoselenate(IV), oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 3033 variables; 25840 reflections; I > 2σ(I), R = 0.0592; wR = 0.1475
  • Sample Detail(s): sample prepared from Na2SeO3, Na2[WO4][H2O]2, KCl, CH3COOH, chemical analysis; 64.9 wt.% W, 3.8 wt.% K, 2.6 wt.% Na, 2.5 wt.% Se, single crystal (determination of cell parameters), single crystal, 0.03×0.04×0.05 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K16Na18W63[SeO3]6O200[H2O]108
  • Alphabetic Formula: [H2O]108K16Na18O200[SeO3]6W63
  • Published Formula: K16Na18[H6W63Se6O221]·105H2O
  • Refined Formula: H106.40K19.65Na4O271.20Se6W63
  • Wyckoff Sequence: 15,f414e5
  • Z Formula Units: 8
  • Density: ρ = 3.77 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_1126643

  • 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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