Inorganic Solid Phases

ZrO2-9 mol.% Sc2O3 (Sc0.1Zr0.9O1.95 rt) Crystal Structure

General Information

  • Phase Label(s): Sc0.1Zr0.9O1.95 rt
  • Structure Class(es): fluorite family
  • Classification by Properties: superionic conductor
  • Mineral Name(s):
  • Pearson Symbol: tP6
  • Space Group: 137
  • Phase Prototype: ZrO2
  • Measurement Detail(s): automatic diffractometer; Brazil, Campinas, Brazilian Synchrotron Light Laboratory, D10B-XPD beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.15495 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.0573; wRP = 0.0765
  • Sample Detail(s): sample prepared from ZrO[NO3]2[H2O]6, Sc[NO3]3[H2O]4, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Sc0.165Zr0.835O1.918
  • Alphabetic Formula: O1.918Sc0.165Zr0.835
  • Published Formula: ZrO2-9 mol.% Sc2O3
  • Refined Formula: O1.92Sc0.17Zr0.84
  • Wyckoff Sequence: 137,db
  • Z Formula Units: 2
  • Density: ρ = 5.76 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_1717689

  • 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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