Inorganic Solid Phases

H2Ce2.5K(NH4)0.5[{RuRu3O6(OH2)4}(γ-SiW10O36)2]·33H2O (H2K[NH4]0.5Ce2.5W20Ru4[SiO4]2O70[H2O]37, T = 173 K) Crystal Structure

General Information

  • Phase Label(s): H2K[NH4]0.5Ce2.5W20Ru4[SiO4]2O70[H2O]37
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP318
  • Space Group: 2
  • Phase Prototype: H2K[NH4]0.5Ce2.5W20Ru4[SiO4]2O70[H2O]37
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 173 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 23311 reflections, R = 0.0634; wR = 0.1961
  • Sample Detail(s): sample prepared from K8[γ-SiW10O36], RuCl3[H2O], Ce[NH4]2[NO3]6, chemical analysis; 1.0 wt.% Si, 6.2 wt.% Ru, 54.1 wt.% W, 0.7 wt.% K, 5.2 wt.% Ce, 0.16 wt.% N, single crystal (determination of cell parameters), single crystal, 0.08×0.11×0.18 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H2K[NH4]0.5Ce2.5W20Ru4[SiO4]2O70[H2O]37
  • Alphabetic Formula: Ce2.5H2[H2O]37K[NH4]0.5O70Ru4[SiO4]2W20
  • Published Formula: H2Ce2.5K(NH4)0.5[{RuRu3O6(OH2)4}(γ-SiW10O36)2]·33H2O
  • Refined Formula: Ce3H91O123.50Ru4Si2W20
  • Wyckoff Sequence: 2,i159
  • Z Formula Units: 2
  • Density: ρ = 3.74 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_1223962

  • 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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