Inorganic Solid Phases

Zr0.85Ca0.15O1.85 (Ca0.2Zr0.8O1.8 ht2, T = 1770 K) Crystal Structure

General Information

  • Phase Label(s): Ca0.2Zr0.8O1.8 ht2
  • Structure Class(es): fluorite family
  • Classification by Properties: nonmetal
  • Mineral Name(s):
  • Pearson Symbol: cF12
  • Space Group: 225
  • Phase Prototype: CaF2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Germany, Garching, Munich Technical University, FRM reactor, MAN2 (determination of structural parameters), neutrons; λ = 0.12 nm (determination of cell and structural parameters), T = 1770 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 7 variables; 21 reflections, wR = 0.0335
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 8×8×12 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca0.15Zr0.85O1.85
  • Alphabetic Formula: Ca0.15O1.85Zr0.85
  • Published Formula: Zr0.85Ca0.15O1.85
  • Refined Formula: Ca0.15O2Zr0.85
  • Wyckoff Sequence: 225,ga
  • Z Formula Units: 4
  • Density: ρ = 5.27 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1420581

  • 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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