Inorganic Solid Phases

TiO2 Crystal Structure

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General Information

  • Phase Label(s): TiO2 rut
  • Structure Class(es): –
  • Classification by Properties: diamagnetic, ferromagnet FM, photocatalyst, semiconductor
  • Mineral Name(s): rutile
  • Pearson Symbol: tP6
  • Space Group: 136
  • Phase Prototype: TiO2
  • Measurement Detail(s): automatic diffractometer; 9 (determination of cell parameters), X-rays, Cu Kα (determination of cell parameters), T = 298 K (determination of cell parameters)
  • Phase Class(es): –
  • Compound Class(es): oxide
  • Interpretation Detail(s): cell parameters determined and structure type assigned; temperature dependence studied
  • Sample Detail(s): sample prepared from TiO2 rutile, powder (determination of cell parameters)

Substance Summary

  • Standard Formula: TiO2
  • Alphabetic Formula: O2Ti
  • Published Formula: TiO2
  • Refined Formula: –
  • Wyckoff Sequence: –
  • Z Formula Units: 2
  • Density: ρ = 4.26 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.

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1403121

  • 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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