Inorganic Solid Phases

[Ce3+(SO4)1.5(HSO4)0.5]·0.5H3O (H0.5[H3O]0.5Ce[SO4]2) Crystal Structure

General Information

  • Phase Label(s): H0.5[H3O]0.5Ce[SO4]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP23
  • Space Group: 6
  • Phase Prototype: H[H3O]Ce2[SO4]4
  • Measurement Detail(s): automatic diffractometer; 12720 (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 and structural parameters), T = 296.1 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement on F; 127 variables; 2653 reflections; F2 > 2σ(F2), R = 0.056; wR = 0.064
  • Sample Detail(s): sample prepared from Ce[SO4]2([NH4]2SO4[H2O]4)2, H3PO4, H2SO4, H2N(CH2)2OH, energy-dispersive X-ray analysis; C/S ratio 1/2; no P or F detected, single crystal (determination of cell parameters), single crystal, 0.12×0.28×0.77 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H[H3O]Ce2[SO4]4
  • Alphabetic Formula: Ce2H[H3O][SO4]4
  • Published Formula: [Ce3+(SO4)1.5(HSO4)0.5]·0.5H3O
  • Refined Formula: Ce2H4O17S4
  • Wyckoff Sequence: 6,c4b7a8
  • Z Formula Units: 1
  • Density: ρ = 3.23 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_1220712

  • 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

    Citation copied