Inorganic Solid Phases

Th0.71U0.31O2.09 (Th0.5U0.5O2 hp, T = 300 K, p = 4.51 GPa) Crystal Structure

General Information

  • Phase Label(s): Th0.5U0.5O2 hp
  • Structure Class(es): fluorite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP6
  • Space Group: 137
  • Phase Prototype: ZrO2
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays (determination of cell and structural parameters), T = 300 K (determination of cell and structural parameters), p = 4.51 GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; pressure dependence studied, full-matrix least-squares refinement on F2
  • Sample Detail(s): electron microprobe analysis; Th0.709(13)U0.309(4)Ca0.046(13)Ce0.042(6)O2.088(18), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Th0.7U0.3O2.09
  • Alphabetic Formula: O2.09Th0.7U0.3
  • Published Formula: Th0.71U0.31O2.09
  • Refined Formula: O2Th0.70U0.30
  • Wyckoff Sequence: 225,ca
  • Z Formula Units: 4
  • Density: ρ = 10.60 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1129824

  • 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)

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