Inorganic Solid Phases

ZrTi0.90Co0.05W0.05O4 (Zr0.5Ti0.450W0.025Co0.025O2) Crystal Structure

General Information

  • Phase Label(s): Zr0.5Ti0.450W0.025Co0.025O2
  • Structure Class(es):
  • Classification by Properties: intermediate valence
  • Mineral Name(s):
  • Pearson Symbol: oP12
  • Space Group: 60
  • Phase Prototype: Fe2N0.94
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1820 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase; 30 variables, wRP = 0.24
  • Sample Detail(s): sample prepared from TiO2 rutile, ZrO2, Co3O4, WO3, amounts of TiO2 (7.9 wt.%), ZrO2 (4.7 wt.%) and Al2TiO5 (1.2 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Zr0.5Ti0.450W0.025Co0.025O2
  • Alphabetic Formula: Co0.025O2Ti0.450W0.025Zr0.5
  • Published Formula: ZrTi0.90Co0.05W0.05O4
  • Refined Formula: O2Ti0.56Zr0.44
  • Wyckoff Sequence: 60,dc
  • Z Formula Units: 4
  • Density: ρ = 5.31 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
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_1123126

  • 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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