Inorganic Solid Phases

V0.069Sb0.014W0.022Ti0.894O2 (Ti0.894V0.069W0.022Sb0.014O2) Crystal Structure

General Information

  • Phase Label(s): Ti0.894V0.069W0.022Sb0.014O2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): rutile
  • Pearson Symbol: tP6
  • Space Group: 136
  • Phase Prototype: TiO2
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 295 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 on F2; 11 variables; 247 reflections, R = 0.0172; wR = 0.0177
  • Sample Detail(s): rutile sample from Canada, Ontario, Hemlo, David Bell mine, energy-dispersive X-ray analysis; 84.90 wt.% TiO2, 6.09 wt.% V2O3, 5.87 wt.% WO3, 2.63 wt.% Sb2O5, 0.19 wt.% FeO, single crystal (determination of cell parameters), single crystal, 0.065×0.095×0.111 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ti0.894V0.069W0.022Sb0.014O2
  • Alphabetic Formula: O2Sb0.014Ti0.894V0.069W0.022
  • Published Formula: V0.069Sb0.014W0.022Ti0.894O2
  • Refined Formula: O2Sb0.01Ti0.90V0.07W0.02
  • Wyckoff Sequence: 136,fa
  • Z Formula Units: 2
  • Density: ρ = 4.46 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
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1818479

  • 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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