Inorganic Solid Phases

K15(NH4)[Ce4+(α2-P2W17O61)2]·49H2O (K15[NH4]CeW34[PO4]4O106[H2O]49, T = 203 K) Crystal Structure

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General Information

  • Phase Label(s): K15[NH4]CeW34[PO4]4O106[H2O]49
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: aP468
  • Space Group: 2
  • Phase Prototype: K15[NH4]CeW34[PO4]4O106[H2O]49
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters), T = 203 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 1212 variables; 32858 reflections; I > 2σ(I), R = 0.0398; wR = 0.0398
  • Sample Detail(s): sample prepared from K10[α2-P2W17O61][H2O]20, [NH4]2Ce[NO3]6, inductive coupled plasma method; 0.44 wt.% H, 0.14 wt.% N, 1.52 wt.% Ce, 1.33 wt.% P, 64.4 wt.% W, 6.19 wt.% K, single crystal (determination of cell parameters), single crystal, 0.10×0.19×0.48 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K15[NH4]CeW34[PO4]4O106[H2O]49
  • Alphabetic Formula: Ce[H2O]49K15[NH4]O106[PO4]4W34
  • Published Formula: K15(NH4)[Ce4+(α2-P2W17O61)2]·49H2O
  • Refined Formula: CeH102K15NO171P4W34
  • Wyckoff Sequence: 2,i234
  • Z Formula Units: 2
  • Density: ρ = 4.26 Mg·m−3
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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_1234769

  • 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)

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