Inorganic Solid Phases

K8[Ce2(SO4)8]·5H2O (K4Ce[SO4]4[H2O]2.5) Crystal Structure

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General Information

  • Phase Label(s): K4Ce[SO4]4[H2O]2.5
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mP112
  • Space Group: 14
  • Phase Prototype: K4Ce[SO4]4[H2O]2.5
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur S (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): sulfate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 253 variables; 11079 reflections; I > 2σ(I), R = 0.0381; wR = 0.0803
  • Sample Detail(s): sample prepared from K2Ni[SO4]2, Ce[SO4]2, H2SO4, K2Co[SO4]2[H2O]6, K2(Co,Ni)[SO4]2[H2O]6, K2Ni[SO4]2[H2O]6, single crystal (determination of cell parameters), single crystal, 0.07×0.08×0.09 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K4Ce[SO4]4[H2O]2.5
  • Alphabetic Formula: Ce[H2O]2.5K4[SO4]4
  • Published Formula: K8[Ce2(SO4)8]·5H2O
  • Refined Formula: CeH5K4O18.50S4
  • Wyckoff Sequence: 14,e28
  • Z Formula Units: 4
  • Density: ρ = 2.77 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_1630247

  • 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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