Inorganic Solid Phases

TiOSO4, rt (Ti[SO4]O rt) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): Ti[SO4]O rt
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: oP112
  • Space Group: 26
  • Phase Prototype: Ti[SO4]O
  • Measurement Detail(s): automatic diffractometer; 32 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Cu Kα1; λ = 0.1540598 nm (determination of cell parameters), X-rays, Cu Kα; λ = 0.1540598 nm (determination of structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): sulfate, oxide
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement; 27 variables; 246 reflections, RP = 0.0672; wRP = 0.0866
  • Sample Detail(s): sample prepared from TiO2 rutile, H2SO4, NH4[OH], powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ti[SO4]O
  • Alphabetic Formula: O[SO4]Ti
  • Published Formula: TiOSO4, rt
  • Refined Formula: O5STi
  • Wyckoff Sequence: 62,dc4a
  • Z Formula Units: 4
  • Density: ρ = 2.93 Mg·m−3
View 3D Interactive Structure

Cite this page

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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1415182

  • 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

    Download this citation

    Citation copied