Inorganic Solid Phases

[K(H2O)2]4[K4(μ-H2O)4(H2O)4]2{[Ln2(μ-OH)4(H2O)x]2(H24P8W48O184)}·yH2O, Ln= Sm, x/y= 12/28 (H6K3SmW12[PO4]2O38[OH]2[H2O]19) Crystal Structure

General Information

  • Phase Label(s): H6K3SmW12[PO4]2O38[OH]2[H2O]19
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tI720
  • Space Group: 87
  • Phase Prototype: H6K3SmW12[PO4]2O38[OH]2[H2O]19
  • Measurement Detail(s): automatic diffractometer; 16215 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 412 variables; 6392 reflections; I > 2σ(I), R = 0.0686; wR = 0.1933
  • Sample Detail(s): sample prepared from K12[α-H2P2W12O48][H2O]24, Sm(CH3COO)3[H2O]6, chemical analysis; 2.93 wt.% K, 3.85 wt.% Sm, 1.53 wt.% P, 59.47 wt.% W, single crystal (determination of cell parameters), single crystal, 0.18×0.18×0.38 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H6K3SmW12[PO4]2O38[OH]2[H2O]19
  • Alphabetic Formula: H6[H2O]19K3O38[OH]2[PO4]2SmW12
  • Published Formula: [K(H2O)2]4[K4(μ-H2O)4(H2O)4]2{[Ln2(μ-OH)4(H2O)x]2(H24P8W48O184)}·yH2O, Ln= Sm, x/y= 12/28
  • Refined Formula: H40K3O67P2SmW12
  • Wyckoff Sequence: 87,i38h13f
  • Z Formula Units: 8
  • Density: ρ = 3.40 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_1141349

  • 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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