Inorganic Solid Phases

(Ti0.50Zr0.26Mg0.14Cr0.10)O1.81 (Mg0.14Zr0.26Ti0.50Cr0.10O1.81) Crystal Structure

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General Information

  • Phase Label(s): Mg0.14Zr0.26Ti0.50Cr0.10O1.81
  • Structure Class(es): fluorite family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF12
  • Space Group: 225
  • Phase Prototype: CaF2
  • Measurement Detail(s): automatic diffractometer; Bruker AXS X8 SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters), T = 293 K (determination of structural parameters), p = 0.0001 GPa (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; pressure dependence studied, least-squares refinement; 37 reflections; I > 2σ(I), R = 0.025
  • Sample Detail(s): sample prepared from TiO2 rutile, ZrO2, Cr2O3, Fe2O3 (hematite), MgO, electron microprobe analysis; (Ti0.50Zr0.26Mg0.14Cr0.10)O1.81, single crystal, 0.08×0.09×0.09 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Mg0.14Zr0.26Ti0.50Cr0.10O1.81
  • Alphabetic Formula: Cr0.10Mg0.14O1.81Ti0.50Zr0.26
  • Published Formula: (Ti0.50Zr0.26Mg0.14Cr0.10)O1.81
  • Refined Formula: Cr0.10Mg0.14O1.71Ti0.50Zr0.26
  • Wyckoff Sequence: 225,ca
  • Z Formula Units: 4
  • Density: ρ = 4.86 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_1717089

  • 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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