Inorganic Solid Phases

Cs12Li42O203U15; Cs-(2a) ((2)= [UO2(O2)3]12[(UO2(OH)4)Li16(H2O)28]3·Li6[H2O]6) (Cs12Li42[UO2]15[O2]36[OH]12[H2O]89, T = 188 K) Crystal Structure

General Information

  • Phase Label(s): Cs12Li42[UO2]15[O2]36[OH]12[H2O]89
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP308
  • Space Group: 221
  • Phase Prototype: Cs12Li42[UO2]15[O2]36[OH]12[H2O]89
  • Measurement Detail(s): automatic diffractometer; 200 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 188 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, peroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 79 variables; 1088 reflections; I > 2σ(I), R = 0.0933; wR = 0.2970
  • Sample Detail(s): sample prepared from DI water, H2O2, LiOH[H2O], UO2[NO3]2[H2O], C2H5OH (ethanol), CsCl, single crystal (determination of cell parameters), single crystal, 0.08×0.12×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs12Li42[UO2]15[O2]36[OH]12[H2O]89
  • Alphabetic Formula: Cs12[H2O]89Li42[OH]12[O2]36[UO2]15
  • Published Formula: Cs12Li42O203U15; Cs-(2a) ((2)= [UO2(O2)3]12[(UO2(OH)4)Li16(H2O)28]3·Li6[H2O]6)
  • Refined Formula: Cs12H190Li42O203U15
  • Wyckoff Sequence: 221,m7lkj2ih2gfe2dc
  • Z Formula Units: 1
  • Density: ρ = 2.74 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_1630804

  • 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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