Inorganic Solid Phases

(UO2)2C2O4(OH)2(H2O)2 ([UO2]2[C2O4][OH]2[H2O]2, T = 125 K) Crystal Structure

General Information

  • Phase Label(s): [UO2]2[C2O4][OH]2[H2O]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP16
  • Space Group: 2
  • Phase Prototype: [UO2]2[C2O4][OH]2[H2O]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 125 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxalate, hydroxide, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 83 variables; 1285 reflections, R = 0.0160; wR = 0.0365
  • Sample Detail(s): sample prepared from Ba nitrate, UO3, H2C2O4[H2O]2, spectroscopy, single crystal (determination of cell parameters), single crystal, 0.05×0.06×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [UO2]2[C2O4][OH]2[H2O]2
  • Alphabetic Formula: [C2O4][H2O]2[OH]2[UO2]2
  • Published Formula: (UO2)2C2O4(OH)2(H2O)2
  • Refined Formula: C2H6O12U2
  • Wyckoff Sequence: 2,i8
  • Z Formula Units: 1
  • Density: ρ = 4.48 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_1212118

  • 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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