Inorganic Solid Phases

CeZrO4 (Ce0.5Zr0.5O2 rt, T = 1542 K) Crystal Structure

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General Information

  • Phase Label(s): Ce0.5Zr0.5O2 rt
  • 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 parameters), automatic diffractometer; Japan, Tokai, Japan Atomic Energy Research Institute, JRR-3M reactor, HERMES (determination of structural parameters), neutrons; λ = 0.181430(7) nm (determination of cell and structural parameters), T = 1542 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, RP = 0.0551; wRP = 0.0720; RB = 0.0582
  • Sample Detail(s): sample prepared from Ce[NO3]3, ZrO[NO3]2, NH3, inductive coupled plasma method; Ce0.4943(3)(Zr0.993(2)Hf0.007(2))0.5057(3)O2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ce0.5Zr0.5O2
  • Alphabetic Formula: Ce0.5O2Zr0.5
  • Published Formula: CeZrO4
  • Refined Formula: Ce0.50O2Zr0.50
  • Wyckoff Sequence: 137,db
  • Z Formula Units: 2
  • Density: ρ = 6.38 Mg·m−3
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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_1622657

  • 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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