Inorganic Solid Phases

TiO ordered (TiO rt) Crystal Structure

General Information

  • Phase Label(s): TiO rt
  • Structure Class(es):
  • Classification by Properties: metal, nonmetal
  • Mineral Name(s):
  • Pearson Symbol: mS20
  • Space Group: 12
  • Phase Prototype: TiO
  • Measurement Detail(s): diffractometer (determination of cell and structural parameters), X-rays, Co Kα, Cu Kα, Fe Kα (determination of cell parameters), X-rays, Cu Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement, R = 0.11
  • Sample Detail(s): sample prepared from TiO2 rutile, Ti, gravimetry after combustion at 1473 K under flowing oxygen for O; O50.0Ti50.0(5), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: TiO
  • Alphabetic Formula: OTi
  • Published Formula: TiO ordered
  • Refined Formula: OTi
  • Wyckoff Sequence: 12,i4da
  • Z Formula Units: 10
  • Density: ρ = 4.91 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

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1250187

  • 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

    Citation copied