Inorganic Solid Phases

Ti4Fe2O0.5D3.5 (Ti4Fe2OD2.25) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): Ti4Fe2OD2.25
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: cF408
  • Space Group: 227
  • Phase Prototype: Ti4Fe2OH2.25
  • Measurement Detail(s): automatic diffractometer; Sweden, Studsvik Neutron Research Laboratory, R2 reactor, R2D2 (determination of structural parameters), neutrons; λ = 0.1551 nm (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): deuteride, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0269; wRP = 0.0383
  • Sample Detail(s): sample prepared from Ti4Fe2O0.5, D2, volumetry; D content analyzed, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Ti4Fe2O0.5D3.5
  • Alphabetic Formula: D3.5Fe2O0.5Ti4
  • Published Formula: Ti4Fe2O0.5D3.5
  • Refined Formula: D3.54Fe2.05O0.56Ti3.95
  • Wyckoff Sequence: 227,igfedca
  • Z Formula Units: 16
  • Density: ρ = 5.30 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
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_1717367

  • 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