Inorganic Solid Phases

Cs2[(UO2)2(SeO4)1.48(SO4)1.52] (Cs2[UO2]2[SeO4]1.5[SO4]1.5, T = 150(2) K) Crystal Structure

General Information

  • Phase Label(s): Cs2[UO2]2[SeO4]1.5[SO4]1.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP46
  • Space Group: 113
  • Phase Prototype: Cs2[UO2]2[SO4]3
  • Measurement Detail(s): automatic diffractometer; 1630 (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 150(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): sulfate, tetraoxoselenate(VI)
  • Interpretation Detail(s): complete structure determined; composition dependence studied, full-matrix least-squares refinement on F2; 57 variables; 862 reflections; I > 2σ(I), R = 0.0216; wR = 0.0300
  • Sample Detail(s): sample prepared from [UO2][NO3]2[H2O]6, CsNO3, H2SO4, H2SeO4, energy-dispersive X-ray analysis; Cs/U/S/Se ratio 2.08/2.11/1.45/1.36, single crystal (determination of cell parameters), single crystal, 0.01×0.06×0.09 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs2[UO2]2[SeO4]1.48[SO4]1.52
  • Alphabetic Formula: Cs2[SO4]1.52[SeO4]1.48[UO2]2
  • Published Formula: Cs2[(UO2)2(SeO4)1.48(SO4)1.52]
  • Refined Formula: Cs2O16S1.52Se1.48U2
  • Wyckoff Sequence: 113,f2e6cba
  • Z Formula Units: 2
  • Density: ρ = 5.04 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_1041462

  • 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