Inorganic Solid Phases

Ce0.58824Zr0.36524Hf0.00730Ta0.03922O2.01961 (Ce0.589Hf0.007Zr0.365Ta0.039O2.020) Crystal Structure

General Information

  • Phase Label(s): Ce0.589Hf0.007Zr0.365Ta0.039O2.020
  • 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; Bruker AXS D5005 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement; 21 variables, RP = 0.1192; wRP = 0.1518; RB = 0.0799
  • Sample Detail(s): sample prepared from CeO2, ZrO2, Ta2O5, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ce0.589Hf0.007Zr0.365Ta0.039O2.020
  • Alphabetic Formula: Ce0.589Hf0.007O2.020Ta0.039Zr0.365
  • Published Formula: Ce0.58824Zr0.36524Hf0.00730Ta0.03922O2.01961
  • Refined Formula: Ce0.59Hf0.01O2Ta0.04Zr0.37
  • Wyckoff Sequence: 137,db
  • Z Formula Units: 2
  • Density: ρ = 6.95 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_1908330

  • 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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