Inorganic Solid Phases

[U(H2O)2(UO2)2O4(OH)](H2O)4 (U[UO2]2O4[OH][H2O]6) Crystal Structure

General Information

  • Phase Label(s): U[UO2]2O4[OH][H2O]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oI56
  • Space Group: 71
  • Phase Prototype: U[UO2]2O4[OH][H2O]6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 44 variables; 1047 reflections; I > 2σ(I), R = 0.0374; wR = 0.0764
  • Sample Detail(s): sample prepared from UO2(CH3COO)2[H2O]2, chemical analysis; 70.6 wt.% U, 1.53 wt.% C, 1.00 wt.% H, 0.80 wt.% N, 227 ppm Zn, single crystal (determination of cell parameters), single crystal, 0.01×0.02×0.04 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: U[UO2]2O4[OH][H2O]6
  • Alphabetic Formula: [H2O]6O4[OH]U[UO2]2
  • Published Formula: [U(H2O)2(UO2)2O4(OH)](H2O)4
  • Refined Formula: H5O11U3
  • Wyckoff Sequence: 71,ol3ji3
  • Z Formula Units: 4
  • Density: ρ = 5.13 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_1124081

  • 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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