Inorganic Solid Phases

Ba[UO2(C2O4)2(H2O)]·4H2O (Ba[UO2][C2O4]2[H2O]5) Crystal Structure

General Information

  • Phase Label(s): Ba[UO2][C2O4]2[H2O]5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS168
  • Space Group: 15
  • Phase Prototype: Ba[UO2][C2O4]2[H2O]5
  • Measurement Detail(s): automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters), T = 293(2) K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxalate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 191 variables; 2219 reflections; I > 2σ(I), R = 0.0458; wR = 0.1314
  • Sample Detail(s): sample prepared from UO2C2O4, (CN3H6)2C2O4, Ba[NCS]2, H2O, single crystal, 0.06×0.12×0.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba[UO2][C2O4]2[H2O]5
  • Alphabetic Formula: Ba[C2O4]2[H2O]5[UO2]
  • Published Formula: Ba[UO2(C2O4)2(H2O)]·4H2O
  • Refined Formula: BaC4H10O15U
  • Wyckoff Sequence: 15,f21
  • Z Formula Units: 8
  • Density: ρ = 3.26 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1907182

  • 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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