Inorganic Solid Phases

ZrO2-8 mol.% CaO (Ca0.05Zr0.95O1.95 ht1) Crystal Structure

General Information

  • Phase Label(s): Ca0.05Zr0.95O1.95 ht1
  • 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; Brazil, Campinas, Brazilian Synchrotron Light Laboratory, D10B-XPD beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.13772 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.0556; wRP = 0.043
  • Sample Detail(s): sample prepared from ZrOCl2[H2O]8, CaCO3, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.08Zr0.92O1.92
  • Alphabetic Formula: Ca0.08O1.92Zr0.92
  • Published Formula: ZrO2-8 mol.% CaO
  • Refined Formula: Ca0.08O1.92Zr0.92
  • Wyckoff Sequence: 137,db
  • Z Formula Units: 2
  • Density: ρ = 5.83 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_1716073

  • 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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